Opened 23 months ago

Last modified 23 months ago

#10338 feedback defect

MemoryError saving session

Reported by: Praffuls@… Owned by: Greg Couch
Priority: normal Milestone:
Component: Sessions Version:
Keywords: Cc: Tom Goddard, Eric Pettersen
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

The following bug report has been submitted:
Platform:        Windows-10-10.0.22621
ChimeraX Version: 1.7.dev202307220101 (2023-07-22 01:01:24 UTC)
Description
(Describe the actions that caused this problem to occur here)

Log:
UCSF ChimeraX version: 1.7.dev202307220101 (2023-07-22)  
© 2016-2023 Regents of the University of California. All rights reserved.  

> open "D:/PhD common folder/OneDrive - Indian Institute of
> Science/Jose_TH_43S_PIC/New_RSR_models/Session_files/eIF2beta_eIF1A_eIF5placement.cxs"

Log from Mon Aug 28 16:12:33 2023UCSF ChimeraX version: 1.7.dev202307220101
(2023-07-22)  
© 2016-2023 Regents of the University of California. All rights reserved.  

> open "D:/PhD common folder/OneDrive - Indian Institute of
> Science/Jose_TH_43S_PIC/New_RSR_models/eIF2beta_intermediates_2.cxs"

Log from Sat May 6 17:06:28 2023UCSF ChimeraX version: 1.5 (2022-11-24)  
© 2016-2022 Regents of the University of California. All rights reserved.  

> open "D:\PhD common folder\OneDrive - Indian Institute of
> Science\Jose_TH_43S_PIC\New_RSR_models\open_closed_pdbs.cxs" format session

Log from Wed May 3 14:24:59 2023UCSF ChimeraX version: 1.5 (2022-11-24)  
© 2016-2022 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open "D:\PhD common folder\OneDrive - Indian Institute of
> Science\Jose_TH_43S_PIC\New_RSR_models\eIF5_displayed_rsr_real_space_refined.cif"
> format mmcif

Summary of feedback from opening D:\PhD common folder\OneDrive - Indian
Institute of
Science\Jose_TH_43S_PIC\New_RSR_models\eIF5_displayed_rsr_real_space_refined.cif  
---  
warnings | Skipping chem_comp category: Missing column 'type' near line 3872  
Missing entity information. Treating each chain as a separate entity.  
Missing first residue in struct_conn "C00001"  
Missing first residue in struct_conn "C00002"  
Missing first residue in struct_conn "C00003"  
Missing first residue in struct_conn "C00004"  
Missing first residue in struct_conn "C00005"  
2838 messages similar to the above omitted  
Invalid residue range for struct_conf "17": invalid entity "C", near line 275  
Invalid residue range for struct_conf "18": invalid entity "C", near line 276  
Invalid residue range for struct_conf "19": invalid entity "C", near line 277  
Invalid residue range for struct_conf "20": invalid entity "C", near line 278  
Invalid residue range for struct_conf "21": invalid entity "C", near line 279  
157 messages similar to the above omitted  
Invalid sheet range for struct_sheet_range "F 1": invalid entity "C", near
line 3540  
Invalid sheet range for struct_sheet_range "F 2": invalid entity "C", near
line 3541  
Invalid sheet range for struct_sheet_range "F 3": invalid entity "C", near
line 3542  
Invalid sheet range for struct_sheet_range "F 4": invalid entity "C", near
line 3543  
Invalid sheet range for struct_sheet_range "G 1": invalid entity "C", near
line 3544  
177 messages similar to the above omitted  
Missing or incomplete entity_poly_seq table. Inferred polymer connectivity.  
Skipping chem_comp category: Missing column 'type' near line 91304  
Skipping chem_comp category: Missing column 'type' near line 91583  
Skipping chem_comp category: Missing column 'type' near line 91844  
Skipping chem_comp category: Missing column 'type' near line 92129  
Skipping chem_comp category: Missing column 'type' near line 92347  
15 messages similar to the above omitted  
  
Chain information for eIF5_displayed_rsr_real_space_refined.cif #1  
---  
Chain | Description  
1 | No description available  
2 | No description available  
3 | No description available  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
F | No description available  
G | No description available  
H | No description available  
I | No description available  
J | No description available  
K | No description available  
L | No description available  
M | No description available  
N | No description available  
O | No description available  
P | No description available  
Q | No description available  
R | No description available  
S | No description available  
T | No description available  
U | No description available  
V | No description available  
W | No description available  
X | No description available  
Y | No description available  
Z | No description available  
a | No description available  
b | No description available  
c | No description available  
d | No description available  
e | No description available  
f | No description available  
g | No description available  
h | No description available  
i | No description available  
j | No description available  
k | No description available  
l | No description available  
m | No description available  
  

> set bgColor white

> show cartoons

> hide atoms

> cartoon style width 1 thickness 1

> color #1 #ffaa00ff

> open "D:/PhD common folder/OneDrive - Indian Institute of
> Science/Jose_TH_43S_PIC/New_RSR_models/PIN_5_real_space_refined.pdb"

Chain information for PIN_5_real_space_refined.pdb #2  
---  
Chain | Description  
1 | No description available  
2 | No description available  
3 | No description available  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
F | No description available  
G | No description available  
H | No description available  
I | No description available  
J | No description available  
K | No description available  
L | No description available  
M | No description available  
N | No description available  
O | No description available  
P | No description available  
Q | No description available  
R | No description available  
S | No description available  
T | No description available  
U | No description available  
V | No description available  
W | No description available  
X | No description available  
Y | No description available  
Z | No description available  
a | No description available  
b | No description available  
c | No description available  
d | No description available  
e | No description available  
f | No description available  
g | No description available  
h | No description available  
i | No description available  
j | No description available  
k | No description available  
l | No description available  
m | No description available  
n | No description available  
o | No description available  
p | No description available  
q | No description available  
r | No description available  
  

> show cartoons

> hide atoms

> color #2 cyan

> ui tool show Matchmaker

> matchmaker #!2 to #1/2 pairing bs matrix Nucleic

Parameters  
---  
Chain pairing | bs  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | Nucleic  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker eIF5_displayed_rsr_real_space_refined.cif, chain 2 (#1) with
PIN_5_real_space_refined.pdb, chain 2 (#2), sequence alignment score = 6775.8  
RMSD between 1673 pruned atom pairs is 0.858 angstroms; (across all 1780
pairs: 1.400)  
  

> matchmaker #!2 to #1/2 pairing bs matrix Nucleic

Parameters  
---  
Chain pairing | bs  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | Nucleic  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker eIF5_displayed_rsr_real_space_refined.cif, chain 2 (#1) with
PIN_5_real_space_refined.pdb, chain 2 (#2), sequence alignment score = 6775.8  
RMSD between 1673 pruned atom pairs is 0.858 angstroms; (across all 1780
pairs: 1.400)  
  

> hide #!2 models

> open "D:/PhD common folder/OneDrive - Indian Institute of
> Science/Jose_TH_43S_PIC/Maps/beta_and_displaced_eif5.mrc"

Opened beta_and_displaced_eif5.mrc as #3, grid size 300,300,300, pixel 1.34,
shown at level 0.0761, step 2, values float32  

> volume #3 step 1

> volume #3 level 0.03

> volume #3 level 0.039

> volume #3 level 0.05

> volume #3 level 0.055

> ui tool show "Hide Dust"

> surface dust #3 size 35

> volume #3 level 0.05

> volume #3 level 0.04

> volume #3 level 0.042

> volume #3 level 0.045

> volume #3 style mesh

> show #!2 models

> hide #!2 models

> graphics silhouettes true

> graphics silhouettes false

> lighting full

> lighting soft

> lighting shadows true intensity 0.5

> lighting shadows false

> graphics silhouettes true

> lighting soft

> lighting shadows true intensity 0.5

> lighting shadows false

> graphics silhouettes false

> lighting soft

> graphics silhouettes true

> lighting soft

> graphics silhouettes false

> show #!2 models

> open "D:/PhD common folder/OneDrive - Indian Institute of
> Science/Jose_TH_43S_PIC/Maps/beta_and_displaced_eif5_gauss134.mrc"

Opened beta_and_displaced_eif5_gauss134.mrc as #4, grid size 300,300,300,
pixel 1.34, shown at level 0.0637, step 2, values float32  

> hide #!3 models

> volume #4 step 1

> volume #4 level 0.05902

> volume #4 level 0.05

> volume #4 level 0.03

> volume #4 level 0.035

> surface dust #4 size 35

> volume #4 level 0.03

> volume #4 level 0.02

> volume #4 level 0.01

> volume #4 level 0.015

> volume #4 level 0.018

> volume #4 level 0.02

> volume #4 style mesh

> hide #!2 models

> color #4 #ff557fff models

> color #4 #550000ff models

> color #4 #aa00ffff models

> color #4 #555500ff models

> color #4 #55aa7fff models

> show #!2 models

> hide #!4 models

> show #!4 models

> hide #!2 models

> close #3.1

> close #3

> hide #!4 models

> show #!2 models

> preset cartoons/nucleotides licorice/ovals

Using preset: Cartoons/Nucleotides / Licorice/Ovals  
Changed 191045 atom styles  
Preset expands to these ChimeraX commands:

    
    
    show nucleic
    hide protein|solvent|H
    surf hide
    style (protein|nucleic|solvent) & @@draw_mode=0 stick
    cartoon
    cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20
    cartoon style ~(nucleic|strand) x round
    cartoon style (nucleic|strand) x rect
    cartoon style protein modeh default arrows f x round width 1 thick 1
    cartoon style nucleic x round width 1.6 thick 1.6
    nucleotides tube/slab shape ellipsoid

  

> hide atoms

> open "D:/PhD common folder/OneDrive - Indian Institute of
> Science/Jose_TH_43S_PIC/New_RSR_models/beta_no1_cl2_rsr_real_space_refined.cif"
> "D:/PhD common folder/OneDrive - Indian Institute of
> Science/Jose_TH_43S_PIC/New_RSR_models/beta_no1_cl3_rsr_real_space_refined.cif"

Summary of feedback from opening D:/PhD common folder/OneDrive - Indian
Institute of
Science/Jose_TH_43S_PIC/New_RSR_models/beta_no1_cl2_rsr_real_space_refined.cif  
---  
warnings | Skipping chem_comp category: Missing column 'type' near line 3909  
Missing entity information. Treating each chain as a separate entity.  
Missing first residue in struct_conn "C00001"  
Missing first residue in struct_conn "C00002"  
Missing first residue in struct_conn "C00003"  
Missing first residue in struct_conn "C00004"  
Missing first residue in struct_conn "C00005"  
2863 messages similar to the above omitted  
Invalid residue range for struct_conf "18": invalid entity "C", near line 274  
Invalid residue range for struct_conf "19": invalid entity "C", near line 275  
Invalid residue range for struct_conf "20": invalid entity "C", near line 276  
Invalid residue range for struct_conf "21": invalid entity "C", near line 277  
Invalid residue range for struct_conf "22": invalid entity "C", near line 278  
159 messages similar to the above omitted  
Invalid sheet range for struct_sheet_range "F 1": invalid entity "C", near
line 3569  
Invalid sheet range for struct_sheet_range "F 2": invalid entity "C", near
line 3570  
Invalid sheet range for struct_sheet_range "F 3": invalid entity "C", near
line 3571  
Invalid sheet range for struct_sheet_range "G 1": invalid entity "C", near
line 3572  
Invalid sheet range for struct_sheet_range "G 2": invalid entity "C", near
line 3573  
182 messages similar to the above omitted  
Missing or incomplete entity_poly_seq table. Inferred polymer connectivity.  
Skipping chem_comp category: Missing column 'type' near line 91161  
Skipping chem_comp category: Missing column 'type' near line 91440  
Skipping chem_comp category: Missing column 'type' near line 91701  
Skipping chem_comp category: Missing column 'type' near line 91986  
Skipping chem_comp category: Missing column 'type' near line 92204  
15 messages similar to the above omitted  
  
Summary of feedback from opening D:/PhD common folder/OneDrive - Indian
Institute of
Science/Jose_TH_43S_PIC/New_RSR_models/beta_no1_cl3_rsr_real_space_refined.cif  
---  
warnings | Skipping chem_comp category: Missing column 'type' near line 3909  
Missing entity information. Treating each chain as a separate entity.  
Missing first residue in struct_conn "C00001"  
Missing first residue in struct_conn "C00002"  
Missing first residue in struct_conn "C00003"  
Missing first residue in struct_conn "C00004"  
Missing first residue in struct_conn "C00005"  
2857 messages similar to the above omitted  
Invalid residue range for struct_conf "17": invalid entity "C", near line 273  
Invalid residue range for struct_conf "18": invalid entity "C", near line 274  
Invalid residue range for struct_conf "19": invalid entity "C", near line 275  
Invalid residue range for struct_conf "20": invalid entity "C", near line 276  
Invalid residue range for struct_conf "21": invalid entity "C", near line 277  
157 messages similar to the above omitted  
Invalid sheet range for struct_sheet_range "F 1": invalid entity "C", near
line 3564  
Invalid sheet range for struct_sheet_range "F 2": invalid entity "C", near
line 3565  
Invalid sheet range for struct_sheet_range "F 3": invalid entity "C", near
line 3566  
Invalid sheet range for struct_sheet_range "G 1": invalid entity "C", near
line 3567  
Invalid sheet range for struct_sheet_range "G 2": invalid entity "C", near
line 3568  
184 messages similar to the above omitted  
Missing or incomplete entity_poly_seq table. Inferred polymer connectivity.  
Skipping chem_comp category: Missing column 'type' near line 91126  
Skipping chem_comp category: Missing column 'type' near line 91405  
Skipping chem_comp category: Missing column 'type' near line 91666  
Skipping chem_comp category: Missing column 'type' near line 91951  
Skipping chem_comp category: Missing column 'type' near line 92169  
15 messages similar to the above omitted  
  
Chain information for beta_no1_cl2_rsr_real_space_refined.cif #3  
---  
Chain | Description  
1 | No description available  
2 | No description available  
3 | No description available  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
F | No description available  
G | No description available  
H | No description available  
I | No description available  
J | No description available  
K | No description available  
L | No description available  
M | No description available  
N | No description available  
O | No description available  
P | No description available  
Q | No description available  
R | No description available  
S | No description available  
T | No description available  
U | No description available  
V | No description available  
W | No description available  
X | No description available  
Y | No description available  
Z | No description available  
a | No description available  
b | No description available  
c | No description available  
d | No description available  
e | No description available  
f | No description available  
g | No description available  
h | No description available  
i | No description available  
j | No description available  
k | No description available  
l | No description available  
  
Chain information for beta_no1_cl3_rsr_real_space_refined.cif #5  
---  
Chain | Description  
1 | No description available  
2 | No description available  
3 | No description available  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
F | No description available  
G | No description available  
H | No description available  
I | No description available  
J | No description available  
K | No description available  
L | No description available  
M | No description available  
N | No description available  
O | No description available  
P | No description available  
Q | No description available  
R | No description available  
S | No description available  
T | No description available  
U | No description available  
V | No description available  
W | No description available  
X | No description available  
Y | No description available  
Z | No description available  
a | No description available  
b | No description available  
c | No description available  
d | No description available  
e | No description available  
f | No description available  
g | No description available  
h | No description available  
i | No description available  
j | No description available  
k | No description available  
l | No description available  
  

> show cartoons

> hide atoms

> hide #!3 models

> show #!3 models

> color #3 #55ff00ff

> color #3 yellow

> color #5 #ff5500ff

> color #5 red

> ui tool show Matchmaker

> matchmaker #!3 to #1/2 pairing bs matrix Nucleic

Parameters  
---  
Chain pairing | bs  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | Nucleic  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker eIF5_displayed_rsr_real_space_refined.cif, chain 2 (#1) with
beta_no1_cl2_rsr_real_space_refined.cif, chain 2 (#3), sequence alignment
score = 7196  
RMSD between 1736 pruned atom pairs is 0.842 angstroms; (across all 1798
pairs: 0.948)  
  

> matchmaker #!3 to #1/2 pairing bs matrix Nucleic

Parameters  
---  
Chain pairing | bs  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | Nucleic  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker eIF5_displayed_rsr_real_space_refined.cif, chain 2 (#1) with
beta_no1_cl2_rsr_real_space_refined.cif, chain 2 (#3), sequence alignment
score = 7196  
RMSD between 1736 pruned atom pairs is 0.842 angstroms; (across all 1798
pairs: 0.948)  
  

> ui tool show Matchmaker

> matchmaker #!5 to #1/2 pairing bs matrix Nucleic

Parameters  
---  
Chain pairing | bs  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | Nucleic  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker eIF5_displayed_rsr_real_space_refined.cif, chain 2 (#1) with
beta_no1_cl3_rsr_real_space_refined.cif, chain 2 (#5), sequence alignment
score = 7217  
RMSD between 1724 pruned atom pairs is 0.864 angstroms; (across all 1798
pairs: 0.987)  
  

> matchmaker #!5 to #1/2 pairing bs matrix Nucleic

Parameters  
---  
Chain pairing | bs  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | Nucleic  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker eIF5_displayed_rsr_real_space_refined.cif, chain 2 (#1) with
beta_no1_cl3_rsr_real_space_refined.cif, chain 2 (#5), sequence alignment
score = 7217  
RMSD between 1724 pruned atom pairs is 0.864 angstroms; (across all 1798
pairs: 0.987)  
  

> cartoon style width 1 thickness 1

> hide #!1 models

> hide #!2 models

> hide #!3 models

> show #!2 models

> show #!3 models

> hide #!5 models

> show #!5 models

> hide #!5 models

> hide #!3 models

> show #!3 models

> hide #!2 models

> open "D:/PhD common folder/OneDrive - Indian Institute of
> Science/Jose_TH_43S_PIC/New_RSR_models/6gsm.cif"

6gsm.cif title:  
Structure of a partial yeast 48S preinitiation complex in open conformation.
[more info...]  
  
Chain information for 6gsm.cif #6  
---  
Chain | Description | UniProt  
1 | Met-tRNAi |  
2 | 18S ribosomal RNA |  
3 | mRNA (5'-R(P*AP*AP*U)-3') |  
A | 40S ribosomal protein S0 | RSSA_KLULA  
B | 40S ribosomal protein S1 | RS3A_KLULA  
C | KLLA0F09812p | Q6CKL3_KLULA  
D | KLLA0D08305p | Q6CRK7_KLULA  
E | 40S ribosomal protein S4 | Q6CWJ2_KLULA  
F | KLLA0D10659p | Q6CRA3_KLULA  
G | 40S ribosomal protein S6 | RS6_KLULA  
H | 40S ribosomal protein S7 | Q6CTD6_KLULA  
I | 40S ribosomal protein S8 | Q6CMG3_KLULA  
J | KLLA0E23673p | Q6CM18_KLULA  
K | KLLA0B08173p | Q6CVZ5_KLULA  
L | KLLA0A10483p | Q6CX80_KLULA  
M | 40S ribosomal protein S12 | Q6CLU4_KLULA  
N | KLLA0F18040p | Q6CJK0_KLULA  
O | 40S ribosomal protein S14 | RS14_KLULA  
P | KLLA0F07843p | Q6CKV4_KLULA  
Q | 40S ribosomal protein S16 | RS16_KLULA  
R | KLLA0B01474p | Q6CWU3_KLULA  
S | KLLA0B01562p | Q6CWT9_KLULA  
T | KLLA0A07194p | Q6CXM0_KLULA  
U | KLLA0F25542p | Q6CIM1_KLULA  
V | 40S ribosomal protein S21 | RS21_KLULA  
W | 40S ribosomal protein S22 | RS22_KLULA  
X | KLLA0B11231p | F2Z602_KLULA  
Y | 40S ribosomal protein S24 | Q6CU44_KLULA  
Z | KLLA0B06182p | Q6CW78_KLULA  
a | 40S ribosomal protein S26 | Q6CS01_KLULA  
b | 40S ribosomal protein S27 | Q6CNL2_KLULA  
c | 40S ribosomal protein S28 | RS28_KLULA  
d | 40S ribosomal protein S29 | RS29_KLULA  
e | 40S ribosomal protein S30 | Q6CUH5_KLULA  
f | Ubiquitin-40S ribosomal protein S27a | RS27A_KLULA  
g | KLLA0E12277p | Q6CNI7_KLULA  
h | 60S ribosomal protein L41-A | RL41A_YEAST  
i | Eukaryotic translation initiation factor 1A | IF1A_YEAST  
j | Eukaryotic translation initiation factor 2 subunit alpha | IF2A_YEAST  
k | Eukaryotic translation initiation factor 2 subunit gamma | IF2G_YEAST  
l | Eukaryotic translation initiation factor 2 subunit beta | IF2B_YEAST  
m | Eukaryotic translation initiation factor eIF-1 | SUI1_YEAST  
o | Eukaryotic translation initiation factor 3 subunit A,Eukaryotic
translation initiation factor 3 subunit A,eIF3a | EIF3A_YEAST  
p | Eukaryotic translation initiation factor 3 subunit B | EIF3B_YEAST  
q | Eukaryotic translation initiation factor 3 subunit C | EIF3C_YEAST  
r | Eukaryotic translation initiation factor 3 subunit G | EIF3G_YEAST  
s | Eukaryotic translation initiation factor 3 subunit I | EIF3I_YEAST  
  
Non-standard residues in 6gsm.cif #6  
---  
7NO —
[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-2-(phosphonooxymethyl)oxolan-3-yl]
(2~{S})-2-azanyl-4-methylsulfanyl-butanoate  
GCP — phosphomethylphosphonic acid guanylate ester  
MG — magnesium ion  
ZN — zinc ion  
  

> show #!3,6 cartoons

> hide #!3,6 atoms

> close #1

> close #4

> color #6 #ff55ffff

> ui tool show Matchmaker

> matchmaker #!6 to #2/2 pairing bs matrix Nucleic

Parameters  
---  
Chain pairing | bs  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | Nucleic  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker PIN_5_real_space_refined.pdb, chain 2 (#2) with 6gsm.cif, chain 2
(#6), sequence alignment score = 7082  
RMSD between 1127 pruned atom pairs is 1.049 angstroms; (across all 1780
pairs: 6.002)  
  

> matchmaker #!6 to #2/2 pairing bs matrix Nucleic

Parameters  
---  
Chain pairing | bs  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | Nucleic  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker PIN_5_real_space_refined.pdb, chain 2 (#2) with 6gsm.cif, chain 2
(#6), sequence alignment score = 7082  
RMSD between 1127 pruned atom pairs is 1.049 angstroms; (across all 1780
pairs: 6.002)  
  

> preset cartoons/nucleotides licorice/ovals

Using preset: Cartoons/Nucleotides / Licorice/Ovals  
Changed 276479 atom styles  
Preset expands to these ChimeraX commands:

    
    
    show nucleic
    hide protein|solvent|H
    surf hide
    style (protein|nucleic|solvent) & @@draw_mode=0 stick
    cartoon
    cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20
    cartoon style ~(nucleic|strand) x round
    cartoon style (nucleic|strand) x rect
    cartoon style protein modeh default arrows f x round width 1 thick 1
    cartoon style nucleic x round width 1.6 thick 1.6
    nucleotides tube/slab shape ellipsoid

  

> hide #!3 models

> show #!3 models

> hide #!3,6 atoms

> show #!5 models

> show #!3,5-6 atoms

> hide #!3,5-6 atoms

> open "D:/PhD common folder/OneDrive - Indian Institute of
> Science/Jose_TH_43S_PIC/New_RSR_models/eIF5_displayed_rsr_real_space_refined.cif"

Summary of feedback from opening D:/PhD common folder/OneDrive - Indian
Institute of
Science/Jose_TH_43S_PIC/New_RSR_models/eIF5_displayed_rsr_real_space_refined.cif  
---  
warnings | Skipping chem_comp category: Missing column 'type' near line 3872  
Missing entity information. Treating each chain as a separate entity.  
Missing first residue in struct_conn "C00001"  
Missing first residue in struct_conn "C00002"  
Missing first residue in struct_conn "C00003"  
Missing first residue in struct_conn "C00004"  
Missing first residue in struct_conn "C00005"  
2838 messages similar to the above omitted  
Invalid residue range for struct_conf "17": invalid entity "C", near line 275  
Invalid residue range for struct_conf "18": invalid entity "C", near line 276  
Invalid residue range for struct_conf "19": invalid entity "C", near line 277  
Invalid residue range for struct_conf "20": invalid entity "C", near line 278  
Invalid residue range for struct_conf "21": invalid entity "C", near line 279  
157 messages similar to the above omitted  
Invalid sheet range for struct_sheet_range "F 1": invalid entity "C", near
line 3540  
Invalid sheet range for struct_sheet_range "F 2": invalid entity "C", near
line 3541  
Invalid sheet range for struct_sheet_range "F 3": invalid entity "C", near
line 3542  
Invalid sheet range for struct_sheet_range "F 4": invalid entity "C", near
line 3543  
Invalid sheet range for struct_sheet_range "G 1": invalid entity "C", near
line 3544  
177 messages similar to the above omitted  
Missing or incomplete entity_poly_seq table. Inferred polymer connectivity.  
Skipping chem_comp category: Missing column 'type' near line 91304  
Skipping chem_comp category: Missing column 'type' near line 91583  
Skipping chem_comp category: Missing column 'type' near line 91844  
Skipping chem_comp category: Missing column 'type' near line 92129  
Skipping chem_comp category: Missing column 'type' near line 92347  
15 messages similar to the above omitted  
  
Chain information for eIF5_displayed_rsr_real_space_refined.cif #1  
---  
Chain | Description  
1 | No description available  
2 | No description available  
3 | No description available  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
F | No description available  
G | No description available  
H | No description available  
I | No description available  
J | No description available  
K | No description available  
L | No description available  
M | No description available  
N | No description available  
O | No description available  
P | No description available  
Q | No description available  
R | No description available  
S | No description available  
T | No description available  
U | No description available  
V | No description available  
W | No description available  
X | No description available  
Y | No description available  
Z | No description available  
a | No description available  
b | No description available  
c | No description available  
d | No description available  
e | No description available  
f | No description available  
g | No description available  
h | No description available  
i | No description available  
j | No description available  
k | No description available  
l | No description available  
m | No description available  
  

> show #!1,3,5-6 cartoons

> hide #!1,3,5-6 atoms

> color #1 lime

> ui tool show Matchmaker

> matchmaker #!2 to #1/2 pairing bs matrix Nucleic

Parameters  
---  
Chain pairing | bs  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | Nucleic  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker eIF5_displayed_rsr_real_space_refined.cif, chain 2 (#1) with
PIN_5_real_space_refined.pdb, chain 2 (#2), sequence alignment score = 6775.8  
RMSD between 1673 pruned atom pairs is 0.858 angstroms; (across all 1780
pairs: 1.400)  
  

> matchmaker #!3 to #1/2 pairing bs matrix Nucleic

Parameters  
---  
Chain pairing | bs  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | Nucleic  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker eIF5_displayed_rsr_real_space_refined.cif, chain 2 (#1) with
beta_no1_cl2_rsr_real_space_refined.cif, chain 2 (#3), sequence alignment
score = 7196  
RMSD between 1736 pruned atom pairs is 0.842 angstroms; (across all 1798
pairs: 0.948)  
  

> matchmaker #!5 to #1/2 pairing bs matrix Nucleic

Parameters  
---  
Chain pairing | bs  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | Nucleic  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker eIF5_displayed_rsr_real_space_refined.cif, chain 2 (#1) with
beta_no1_cl3_rsr_real_space_refined.cif, chain 2 (#5), sequence alignment
score = 7217  
RMSD between 1724 pruned atom pairs is 0.864 angstroms; (across all 1798
pairs: 0.987)  
  

> matchmaker #!6 to #1/2 pairing bs matrix Nucleic

Parameters  
---  
Chain pairing | bs  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | Nucleic  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker eIF5_displayed_rsr_real_space_refined.cif, chain 2 (#1) with
6gsm.cif, chain 2 (#6), sequence alignment score = 6878.8  
RMSD between 1140 pruned atom pairs is 1.126 angstroms; (across all 1798
pairs: 5.898)  
  

> matchmaker #!6 to #1/2 pairing bs matrix Nucleic

Parameters  
---  
Chain pairing | bs  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | Nucleic  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker eIF5_displayed_rsr_real_space_refined.cif, chain 2 (#1) with
6gsm.cif, chain 2 (#6), sequence alignment score = 6878.8  
RMSD between 1140 pruned atom pairs is 1.126 angstroms; (across all 1798
pairs: 5.898)  
  

> matchmaker #!6 to #1/2 pairing bs matrix Nucleic

Parameters  
---  
Chain pairing | bs  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | Nucleic  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker eIF5_displayed_rsr_real_space_refined.cif, chain 2 (#1) with
6gsm.cif, chain 2 (#6), sequence alignment score = 6878.8  
RMSD between 1140 pruned atom pairs is 1.126 angstroms; (across all 1798
pairs: 5.898)  
  

> preset cartoons/nucleotides licorice/ovals

Using preset: Cartoons/Nucleotides / Licorice/Ovals  
Changed 86963 atom styles  
Preset expands to these ChimeraX commands:

    
    
    show nucleic
    hide protein|solvent|H
    surf hide
    style (protein|nucleic|solvent) & @@draw_mode=0 stick
    cartoon
    cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20
    cartoon style ~(nucleic|strand) x round
    cartoon style (nucleic|strand) x rect
    cartoon style protein modeh default arrows f x round width 1 thick 1
    cartoon style nucleic x round width 1.6 thick 1.6
    nucleotides tube/slab shape ellipsoid

  

> open "D:/PhD common folder/OneDrive - Indian Institute of
> Science/Jose_TH_43S_PIC/New_RSR_models/6gsn.cif"

6gsn.cif title:  
Structure of a partial yeast 48S preinitiation complex in closed conformation
[more info...]  
  
Chain information for 6gsn.cif #4  
---  
Chain | Description | UniProt  
1 | tRNAi (75-MER) |  
2 | 18S rRNA (1798-MER) |  
3 | mRNA |  
A | 40S ribosomal protein S0 | RSSA_KLULA  
B | 40S ribosomal protein S1 | RS3A_KLULA  
C | KLLA0F09812p | Q6CKL3_KLULA  
D | KLLA0D08305p | Q6CRK7_KLULA  
E | 40S ribosomal protein S4 | Q6CWJ2_KLULA  
F | KLLA0D10659p | Q6CRA3_KLULA  
G | 40S ribosomal protein S6 | RS6_KLULA  
H | 40S ribosomal protein S7 | Q6CTD6_KLULA  
I | 40S ribosomal protein S8 | Q6CMG3_KLULA  
J | KLLA0E23673p | Q6CM18_KLULA  
K | KLLA0B08173p | Q6CVZ5_KLULA  
L | KLLA0A10483p | Q6CX80_KLULA  
M | 40S ribosomal protein S12 | Q6CLU4_KLULA  
N | KLLA0F18040p | Q6CJK0_KLULA  
O | 40S ribosomal protein S14 | RS14_KLULA  
P | KLLA0F07843p | Q6CKV4_KLULA  
Q | 40S ribosomal protein S16 | RS16_KLULA  
R | KLLA0B01474p | Q6CWU3_KLULA  
S | KLLA0B01562p | Q6CWT9_KLULA  
T | KLLA0A07194p | Q6CXM0_KLULA  
U | KLLA0F25542p | Q6CIM1_KLULA  
V | 40S ribosomal protein S21 | RS21_KLULA  
W | 40S ribosomal protein S22 | RS22_KLULA  
X | RPS23 | Q875M3_KLULC  
Y | 40S ribosomal protein S24 | Q6CU44_KLULA  
Z | KLLA0B06182p | Q6CW78_KLULA  
a | 40S ribosomal protein S26 | Q6CS01_KLULA  
b | 40S ribosomal protein S27 | Q6CNL2_KLULA  
c | 40S ribosomal protein S28 | RS28_KLULA  
d | 40S ribosomal protein S29 | RS29_KLULA  
e | 40S ribosomal protein S30 | Q6CUH5_KLULA  
f | Ubiquitin-40S ribosomal protein S27a | RS27A_KLULA  
g | KLLA0E12277p | Q6CNI7_KLULA  
h | 60S ribosomal protein L41-A | RL41A_YEAST  
i | Eukaryotic translation initiation factor 1A | IF1A_YEAST  
j | Eukaryotic translation initiation factor 2 subunit alpha | IF2A_YEAST  
k | Eukaryotic translation initiation factor 2 subunit gamma | IF2G_YEAST  
l | Eukaryotic translation initiation factor 2 subunit beta | IF2B_YEAST  
m | Eukaryotic translation initiation factor eIF-1 | SUI1_YEAST  
o | Eukaryotic translation initiation factor 3 subunit A,eIF3a | EIF3A_YEAST  
p | Eukaryotic translation initiation factor 3 subunit B | EIF3B_YEAST  
q | Eukaryotic translation initiation factor 3 subunit C | EIF3C_YEAST  
r | Eukaryotic translation initiation factor 3 subunit G | EIF3G_YEAS7  
s | Eukaryotic translation initiation factor 3 subunit I | EIF3I_YEAS7  
  
Non-standard residues in 6gsn.cif #4  
---  
GCP — phosphomethylphosphonic acid guanylate ester  
MET — methionine  
MG — magnesium ion  
ZN — zinc ion  
  

> show #!1,3-6 cartoons

> hide #!1,3-6 atoms

> color #4 blue

> show #!2 models

> hide #!1 models

> hide #!2 models

> hide #!3 models

> hide #!5 models

> hide #!6 models

> preset cartoons/nucleotides licorice/ovals

Using preset: Cartoons/Nucleotides / Licorice/Ovals  
Changed 103673 atom styles  
Preset expands to these ChimeraX commands:

    
    
    show nucleic
    hide protein|solvent|H
    surf hide
    style (protein|nucleic|solvent) & @@draw_mode=0 stick
    cartoon
    cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20
    cartoon style ~(nucleic|strand) x round
    cartoon style (nucleic|strand) x rect
    cartoon style protein modeh default arrows f x round width 1 thick 1
    cartoon style nucleic x round width 1.6 thick 1.6
    nucleotides tube/slab shape ellipsoid

  

> show #!1 models

> show #!2 models

> show #!3 models

> show #!5 models

> show #!6 models

> ui tool show Matchmaker

> matchmaker #!4 to #1/2 pairing bs matrix Nucleic

Parameters  
---  
Chain pairing | bs  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | Nucleic  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker eIF5_displayed_rsr_real_space_refined.cif, chain 2 (#1) with
6gsn.cif, chain 2 (#4), sequence alignment score = 7187.8  
RMSD between 1593 pruned atom pairs is 1.097 angstroms; (across all 1798
pairs: 1.479)  
  

> matchmaker #!4 to #1/2 pairing bs matrix Nucleic

Parameters  
---  
Chain pairing | bs  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | Nucleic  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker eIF5_displayed_rsr_real_space_refined.cif, chain 2 (#1) with
6gsn.cif, chain 2 (#4), sequence alignment score = 7187.8  
RMSD between 1593 pruned atom pairs is 1.097 angstroms; (across all 1798
pairs: 1.479)  
  

> hide atoms

> hide #!6 models

> hide #!4 models

> hide #!2 models

> hide #!5 models

> hide #!3 models

> hide #!1 models

> show #!6 models

> select #6/l:220

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel target ab

> ui tool show Contacts

> contacts sel intraMol false ignoreHiddenModels true color #000000 dashes 8
> radius 0.015 reveal true

3 contacts  

> select clear

> show #!3 models

> hide #7 models

> hide #!6 models

> close #7

> save "D:/PhD common folder/OneDrive - Indian Institute of
> Science/Jose_TH_43S_PIC/New_RSR_models/open_closed_pdbs.cxs"

——— End of log from Wed May 3 14:24:59 2023 ———

opened ChimeraX session  

> select #3/1:46

24 atoms, 26 bonds, 1 residue, 1 model selected  

> select up

1639 atoms, 1828 bonds, 75 residues, 1 model selected  

> select #3/1:10

24 atoms, 26 bonds, 1 residue, 1 model selected  

> show sel target ab

> cartoon hide sel

> hide sel target a

> cartoon sel

> select clear

> select #3/3:40

20 atoms, 21 bonds, 1 residue, 1 model selected  

> select up

536 atoms, 595 bonds, 26 residues, 1 model selected  

> color sel red

> select clear

> select #3/1:46

24 atoms, 26 bonds, 1 residue, 1 model selected  

> select up

1639 atoms, 1828 bonds, 75 residues, 1 model selected  

> color sel cornflower blue

> select clear

> show #!5 models

> color #5 #aaaa7fff

> show #!4 models

> hide #!4 models

> show #!6 models

> select #6/3:30

20 atoms, 21 bonds, 1 residue, 1 model selected  

> select up

64 atoms, 71 bonds, 3 residues, 1 model selected  

> select up

103158 atoms, 108903 bonds, 10015 residues, 1 model selected  

> select down

64 atoms, 71 bonds, 3 residues, 1 model selected  

> hide #!6 models

> show #!2 models

> select #2/3:19

22 atoms, 24 bonds, 1 residue, 1 model selected  

> select up

639 atoms, 709 bonds, 31 residues, 1 model selected  

> hide #!5 models

> hide #!2 models

> show #!6 models

> hide #!3 models

> show #!3 models

> hide #!6 models

> show #!6 models

> hide #!6 models

> show #!4 models

> hide #!3 models

> show #!3 models

> hide #!4 models

> show #!4 models

> select #4/m:25

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select add #3/l:199

20 atoms, 19 bonds, 2 residues, 2 models selected  

> show sel target ab

> select #3/l:197

5 atoms, 4 bonds, 1 residue, 1 model selected  

> show sel target ab

> select clear

> ui tool show Distances

> select #3/l:197@CB

1 atom, 1 residue, 1 model selected  

> select add #4/m:25@OH

2 atoms, 2 residues, 2 models selected  

> distance #3/l:197@CB #4/m:25@OH

Distance between beta_no1_cl2_rsr_real_space_refined.cif #3/l ALA 197 CB and
6gsn.cif #4/m TYR 25 OH: 1.360Å  

> select clear

> hide #!4 models

> select #3/j:52

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select clear

> select #3/j:209

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select up

2145 atoms, 2177 bonds, 267 residues, 1 model selected  

> select clear

> show #!4 models

> color #4 #ff55ffff

> color #6 #5500ffff

> show #!2 models

> close #7

> hide #!2 models

> hide #!4 models

> open "D:/PhD common folder/OneDrive - Indian Institute of
> Science/Jose_TH_43S_PIC/New_RSR_models/beta_and1_closed_rsr_real_space_refined.cif"

Summary of feedback from opening D:/PhD common folder/OneDrive - Indian
Institute of
Science/Jose_TH_43S_PIC/New_RSR_models/beta_and1_closed_rsr_real_space_refined.cif  
---  
warnings | Skipping chem_comp category: Missing column 'type' near line 3942  
Missing entity information. Treating each chain as a separate entity.  
Missing first residue in struct_conn "C00001"  
Missing first residue in struct_conn "C00002"  
Missing first residue in struct_conn "C00003"  
Missing first residue in struct_conn "C00004"  
Missing first residue in struct_conn "C00005"  
2865 messages similar to the above omitted  
Invalid residue range for struct_conf "18": invalid entity "C", near line 276  
Invalid residue range for struct_conf "19": invalid entity "C", near line 277  
Invalid residue range for struct_conf "20": invalid entity "C", near line 278  
Invalid residue range for struct_conf "21": invalid entity "C", near line 279  
Invalid residue range for struct_conf "22": invalid entity "C", near line 280  
163 messages similar to the above omitted  
Invalid sheet range for struct_sheet_range "F 1": invalid entity "C", near
line 3588  
Invalid sheet range for struct_sheet_range "F 2": invalid entity "C", near
line 3589  
Invalid sheet range for struct_sheet_range "F 3": invalid entity "C", near
line 3590  
Invalid sheet range for struct_sheet_range "F 4": invalid entity "C", near
line 3591  
Invalid sheet range for struct_sheet_range "G 1": invalid entity "C", near
line 3592  
189 messages similar to the above omitted  
Missing or incomplete entity_poly_seq table. Inferred polymer connectivity.  
Skipping chem_comp category: Missing column 'type' near line 91586  
Skipping chem_comp category: Missing column 'type' near line 91865  
Skipping chem_comp category: Missing column 'type' near line 92126  
Skipping chem_comp category: Missing column 'type' near line 92411  
Skipping chem_comp category: Missing column 'type' near line 92629  
15 messages similar to the above omitted  
  
Chain information for beta_and1_closed_rsr_real_space_refined.cif #7  
---  
Chain | Description  
1 | No description available  
2 | No description available  
3 | No description available  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
F | No description available  
G | No description available  
H | No description available  
I | No description available  
J | No description available  
K | No description available  
L | No description available  
M | No description available  
N | No description available  
O | No description available  
P | No description available  
Q | No description available  
R | No description available  
S | No description available  
T | No description available  
U | No description available  
V | No description available  
W | No description available  
X | No description available  
Y | No description available  
Z | No description available  
a | No description available  
b | No description available  
c | No description available  
d | No description available  
e | No description available  
f | No description available  
g | No description available  
h | No description available  
i | No description available  
j | No description available  
k | No description available  
l | No description available  
m | No description available  
  

> show #!3,7 cartoons

> hide #!3,7 atoms

> cartoon style width 1 thickness 1

> color #7 #ffaa7fff

> show #!4 models

> show #!2 models

> hide #!3 models

> select #4/p:226

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select up

50 atoms, 49 bonds, 6 residues, 1 model selected  

> select up

4682 atoms, 4811 bonds, 593 residues, 1 model selected  

> select up

4690 atoms, 4818 bonds, 594 residues, 1 model selected  

> select down

4682 atoms, 4811 bonds, 593 residues, 1 model selected  

> select down

50 atoms, 49 bonds, 6 residues, 1 model selected  

> select up

4682 atoms, 4811 bonds, 593 residues, 1 model selected  

> select down

50 atoms, 49 bonds, 6 residues, 1 model selected  

> select clear

> select #4/p:232

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select up

55 atoms, 57 bonds, 6 residues, 1 model selected  

> select up

4682 atoms, 4811 bonds, 593 residues, 1 model selected  

> cartoon hide sel

> select #4/p:728

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

212 atoms, 214 bonds, 24 residues, 1 model selected  

> select up

292 atoms, 298 bonds, 33 residues, 1 model selected  

> select up

401 atoms, 407 bonds, 53 residues, 1 model selected  

> select up

465 atoms, 471 bonds, 65 residues, 1 model selected  

> select up

501 atoms, 508 bonds, 69 residues, 1 model selected  

> select up

5147 atoms, 5282 bonds, 658 residues, 1 model selected  

> select up

103798 atoms, 109571 bonds, 10079 residues, 1 model selected  

> select down

5147 atoms, 5282 bonds, 658 residues, 1 model selected  

> cartoon hide sel

> select #4/s:129

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select up

79 atoms, 79 bonds, 9 residues, 1 model selected  

> select up

2019 atoms, 2064 bonds, 258 residues, 1 model selected  

> cartoon hide sel

> select #4/r:52

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select up

49 atoms, 48 bonds, 6 residues, 1 model selected  

> select up

392 atoms, 399 bonds, 49 residues, 1 model selected  

> select up

103798 atoms, 109571 bonds, 10079 residues, 1 model selected  

> select down

392 atoms, 399 bonds, 49 residues, 1 model selected  

> cartoon hide sel

> select #4/s:276

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select up

69 atoms, 72 bonds, 7 residues, 1 model selected  

> select up

587 atoms, 605 bonds, 72 residues, 1 model selected  

> cartoon hide sel

> select clear

> hide #!4 models

> hide #!7 models

> show #!3 models

> open "D:/PhD common folder/OneDrive - Indian Institute of
> Science/Jose_TH_43S_PIC/Maps/betaNO1_cl2_gauss134.mrc"

Opened betaNO1_cl2_gauss134.mrc as #8, grid size 300,300,300, pixel 1.34,
shown at level 0.0693, step 2, values float32  

> hide #!2 models

> volume #8 step 1

> volume #8 level 0.02

> ui tool show "Hide Dust"

> surface dust #8 size 35

> volume #8 style mesh

> volume #8 level 0.015

> show #!2 models

> hide #!8 models

> show #!4 models

> hide #!3 models

> show #!6 models

> hide #!6 models

> hide #!2 models

> hide #!4 models

> show #!3 models

> show #!8 models

> volume #8 level 0.025

> hide #!8 models

> show #!7 models

> hide #!7 models

> show #!5 models

> color #5 #ffaa00ff

> close #7

> select #3/1:57

23 atoms, 25 bonds, 1 residue, 1 model selected  

> select up

1639 atoms, 1828 bonds, 75 residues, 1 model selected  

> color sel yellow

> select clear

> select #5/3:40

20 atoms, 21 bonds, 1 residue, 1 model selected  

> select up

536 atoms, 595 bonds, 26 residues, 1 model selected  

> color sel red

> select clear

> show #!8 models

> volume #8 level 0.015

> volume #8 level 0.013

> hide #!5 models

> hide #!8 models

> show #!5 models

> show #!4 models

> hide #!5 models

> hide #!3 models

> show #!3 models

> show #!2 models

> hide #!2 models

> hide #!4 models

> show #!8 models

> hide #!8 models

> show #!8 models

> hide #!8 models

> select #3/3:39

20 atoms, 21 bonds, 1 residue, 1 model selected  

> select up

536 atoms, 595 bonds, 26 residues, 1 model selected  

> color sel yellow

> select clear

> color #3 #ffaa00ff

> show #!8 models

> ui tool show "Color Zone"

> color zone #8 near #3 distance 24

> color zone #8 near #3 distance 2

> color zone #8 near #3 distance 28

> color zone #8 near #3 distance 29

> color zone #8 near #3 distance 30

> color zone #8 near #3 distance 31

> color zone #8 near #3 distance 2

> color zone #8 near #3 distance 25

> show #!2 models

> color #2 #ffaa00ff

> color zone #8 near #3 distance 25

> color zone #8 near #2 distance 25

> color zone #8 near #2 distance 26

> color zone #8 near #2 distance 27

> color zone #8 near #2 distance 28

> color zone #8 near #2 distance 29

> color zone #8 near #2 distance 30

> color zone #8 near #2 distance 31

> color zone #8 near #2 distance 32

> hide #!2 models

> transparency #3,8 40

> transparency #3,8 60

> transparency #3,8 20

> open "D:/PhD common folder/OneDrive - Indian Institute of
> Science/Jose_TH_43S_PIC/New_RSR_models/5me7.pdb"

5me7.pdb title:  
Crystal structure of EIF4E from C. Melo [more info...]  
  
Chain information for 5me7.pdb #7  
---  
Chain | Description | UniProt  
A B C D | eukaryotic translation initiation factor 4E | Q00LS8_CUCME  
  
Non-standard residues in 5me7.pdb #7  
---  
GOL — glycerol (glycerin; propane-1,2,3-triol)  
  

> ui mousemode right "translate selected models"

> select add #7

5880 atoms, 5920 bonds, 4 pseudobonds, 850 residues, 2 models selected  

> view matrix models #7,1,0,0,278.12,0,1,0,112.75,0,0,1,233.29

> view matrix models #7,1,0,0,298.45,0,1,0,61.77,0,0,1,268.43

> select clear

> select #7/C:95

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select up

83 atoms, 86 bonds, 9 residues, 1 model selected  

> select up

1400 atoms, 1447 bonds, 174 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> select #7/D:99

14 atoms, 15 bonds, 1 residue, 1 model selected  

> select up

83 atoms, 86 bonds, 9 residues, 1 model selected  

> select up

1217 atoms, 1253 bonds, 150 residues, 1 model selected  

> select up

1232 atoms, 1268 bonds, 152 residues, 1 model selected  

> select up

1409 atoms, 1456 bonds, 173 residues, 1 model selected  

> select up

1417 atoms, 1456 bonds, 181 residues, 1 model selected  

> select up

4480 atoms, 4473 bonds, 676 residues, 1 model selected  

> select down

1417 atoms, 1456 bonds, 181 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> select #7/B:139

14 atoms, 15 bonds, 1 residue, 1 model selected  

> select up

67 atoms, 70 bonds, 8 residues, 1 model selected  

> select up

1228 atoms, 1264 bonds, 151 residues, 1 model selected  

> select up

1248 atoms, 1284 bonds, 154 residues, 1 model selected  

> select up

1415 atoms, 1462 bonds, 173 residues, 1 model selected  

> select up

1467 atoms, 1467 bonds, 220 residues, 1 model selected  

> select up

3063 atoms, 3017 bonds, 495 residues, 1 model selected  

> select down

1467 atoms, 1467 bonds, 220 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

Drag select of 24 atoms, 8 residues, 19 bonds  

> delete atoms sel

> delete bonds sel

> select #7/A:216

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select up

42 atoms, 43 bonds, 5 residues, 1 model selected  

> select up

1234 atoms, 1270 bonds, 152 residues, 1 model selected  

> select up

1244 atoms, 1279 bonds, 154 residues, 1 model selected  

> select down

1234 atoms, 1270 bonds, 152 residues, 1 model selected  

> view matrix models #7,1,0,0,263.31,0,1,0,160.98,0,0,1,184.39

> view matrix models #7,1,0,0,287.53,0,1,0,160.75,0,0,1,171.97

> view matrix models #7,1,0,0,279.84,0,1,0,157.82,0,0,1,173.08

> view matrix models #7,1,0,0,276.44,0,1,0,181.71,0,0,1,163.7

> view matrix models #7,1,0,0,276.48,0,1,0,180.68,0,0,1,158.8

> view matrix models
> #7,0.99577,0.090799,-0.014211,275.77,-0.071991,0.86675,0.49351,187.06,0.057128,-0.4904,0.86962,160.34

> view matrix models
> #7,0.9912,0.12788,0.034293,276.16,-0.1129,0.68109,0.72344,190.59,0.069155,-0.72095,0.68953,159.3

> color zone #8 near #7 distance 20

> select clear

> select #7/A:92

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select up

69 atoms, 71 bonds, 8 residues, 1 model selected  

> select up

1234 atoms, 1270 bonds, 152 residues, 1 model selected  

> select up

1244 atoms, 1279 bonds, 154 residues, 1 model selected  

> select up

1424 atoms, 1470 bonds, 175 residues, 1 model selected  

> select up

1472 atoms, 1475 bonds, 218 residues, 1 model selected  

> select up

1517 atoms, 1475 bonds, 263 residues, 1 model selected  

> select down

1472 atoms, 1475 bonds, 218 residues, 1 model selected  

> color sel gray

> color zone #8 near #7 distance 20

> select clear

> select #7/A:217

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

42 atoms, 43 bonds, 5 residues, 1 model selected  

> select up

1234 atoms, 1270 bonds, 152 residues, 1 model selected  

> select up

1244 atoms, 1279 bonds, 154 residues, 1 model selected  

> select up

1424 atoms, 1470 bonds, 175 residues, 1 model selected  

> view matrix models
> #7,0.9912,0.12788,0.034293,278.89,-0.1129,0.68109,0.72344,189.06,0.069155,-0.72095,0.68953,153.51

> view matrix models
> #7,0.99568,0.055134,-0.074675,277.87,-0.031308,0.95682,0.28899,182.84,0.087384,-0.28541,0.95441,155

> view matrix models
> #7,0.64337,0.013793,0.76544,284.87,-0.15033,0.98265,0.10865,178.79,-0.75065,-0.18497,0.63427,139.64

> view matrix models
> #7,0.60762,-0.29169,0.73873,285.67,-0.70818,0.22209,0.67019,183.26,-0.35955,-0.93037,-0.071618,139.04

> view matrix models
> #7,0.71998,-0.41535,0.55598,285.29,-0.69382,-0.41286,0.59005,185.7,-0.015532,-0.81058,-0.58543,135.88

> view matrix models
> #7,0.85578,-0.34009,0.38985,284.38,-0.45218,-0.85782,0.24428,186.45,0.25135,-0.38533,-0.88789,132.97

> view matrix models
> #7,0.85578,-0.34009,0.38985,279.9,-0.45218,-0.85782,0.24428,185.74,0.25135,-0.38533,-0.88789,126.31

> view matrix models
> #7,0.50736,-0.71755,0.47718,278.66,-0.74473,-0.64371,-0.17613,175.31,0.43355,-0.26601,-0.86097,128.34

> view matrix models
> #7,0.24804,-0.86628,0.43363,275.6,-0.81508,-0.42854,-0.38987,170.45,0.52356,-0.25675,-0.81238,130.07

> view matrix models
> #7,0.14864,-0.90636,0.3955,274.04,-0.80308,-0.34401,-0.48654,168.86,0.57703,-0.2453,-0.77901,131.13

> color zone #8 near #7 distance 20

> view matrix models
> #7,0.14864,-0.90636,0.3955,273.66,-0.80308,-0.34401,-0.48654,167.55,0.57703,-0.2453,-0.77901,128

> color zone #8 near #7 distance 20

> select down

1244 atoms, 1279 bonds, 154 residues, 1 model selected  

> color zone #8 near #7 distance 20

> select down

1234 atoms, 1270 bonds, 152 residues, 1 model selected  

> select down

42 atoms, 43 bonds, 5 residues, 1 model selected  

> select up

1234 atoms, 1270 bonds, 152 residues, 1 model selected  

> color zone #8 near #7 distance 20

> color zone #8 near #7 distance 2

> color zone #8 near #7 distance 10

> select clear

> show #!2 models

> color zone #8 near #2 distance 10

> color zone #8 near #2 distance 2

> color zone #8 near #2 distance 25

> color zone #8 near #2 distance 2

> color zone #8 near #2 distance 28

> color zone #8 near #2 distance 2

> color zone #8 near #2 distance 3

> color zone #8 near #2 distance 30

> color zone #8 near #2 distance 2

> color zone #8 near #2 distance 25

> select #7/A:53

5 atoms, 4 bonds, 1 residue, 1 model selected  

> select up

39 atoms, 38 bonds, 6 residues, 1 model selected  

> select up

190 atoms, 200 bonds, 23 residues, 1 model selected  

> select up

209 atoms, 218 bonds, 26 residues, 1 model selected  

> select up

1424 atoms, 1470 bonds, 175 residues, 1 model selected  

> select down

209 atoms, 218 bonds, 26 residues, 1 model selected  

> select up

1424 atoms, 1470 bonds, 175 residues, 1 model selected  

> view matrix models
> #7,0.14864,-0.90636,0.3955,314.7,-0.80308,-0.34401,-0.48654,152.67,0.57703,-0.2453,-0.77901,127.21

> view matrix models
> #7,0.14864,-0.90636,0.3955,304.11,-0.80308,-0.34401,-0.48654,123.66,0.57703,-0.2453,-0.77901,159.22

> color sel orange

> color zone #8 near #7 distance 25

> view matrix models
> #7,0.14864,-0.90636,0.3955,357.16,-0.80308,-0.34401,-0.48654,101.31,0.57703,-0.2453,-0.77901,145.36

> color zone #8 near #2 distance 25

> view matrix models
> #7,0.14864,-0.90636,0.3955,275.09,-0.80308,-0.34401,-0.48654,107.52,0.57703,-0.2453,-0.77901,140.71

> view matrix models
> #7,0.14864,-0.90636,0.3955,266.63,-0.80308,-0.34401,-0.48654,152.06,0.57703,-0.2453,-0.77901,150.04

> view matrix models
> #7,0.14864,-0.90636,0.3955,270.51,-0.80308,-0.34401,-0.48654,148.75,0.57703,-0.2453,-0.77901,131.9

> view matrix models
> #7,0.14864,-0.90636,0.3955,273.5,-0.80308,-0.34401,-0.48654,165.94,0.57703,-0.2453,-0.77901,133.33

> view matrix models
> #7,0.14864,-0.90636,0.3955,267.99,-0.80308,-0.34401,-0.48654,163.14,0.57703,-0.2453,-0.77901,124.23

> color sel gray

> select clear

> color zone #8 near #7 distance 25

> color #8 #ffaa00ff models

> color zone #8 near #7 distance 25

> color zone #8 near #7 distance 10

[Repeated 1 time(s)]

> select #7/A:104

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

26 atoms, 26 bonds, 3 residues, 1 model selected  

> select up

1234 atoms, 1270 bonds, 152 residues, 1 model selected  

> select up

1244 atoms, 1279 bonds, 154 residues, 1 model selected  

> view matrix models
> #7,0.14864,-0.90636,0.3955,319.86,-0.80308,-0.34401,-0.48654,134.34,0.57703,-0.2453,-0.77901,80.262

> select clear

Drag select of 46 residues  

> delete atoms sel

> delete bonds sel

> color #8 #55aa00ff models

> color #8 #ffaa00ff models

> select #7/A:187

14 atoms, 15 bonds, 1 residue, 1 model selected  

> select up

69 atoms, 70 bonds, 8 residues, 1 model selected  

> select up

531 atoms, 542 bonds, 66 residues, 1 model selected  

> view matrix models
> #7,0.14864,-0.90636,0.3955,275.11,-0.80308,-0.34401,-0.48654,150.29,0.57703,-0.2453,-0.77901,130.68

> view matrix models
> #7,0.14864,-0.90636,0.3955,269.96,-0.80308,-0.34401,-0.48654,144.79,0.57703,-0.2453,-0.77901,122.08

> view matrix models
> #7,0.14864,-0.90636,0.3955,270.67,-0.80308,-0.34401,-0.48654,145.31,0.57703,-0.2453,-0.77901,122.68

> view matrix models
> #7,0.14864,-0.90636,0.3955,269.29,-0.80308,-0.34401,-0.48654,149.55,0.57703,-0.2453,-0.77901,124.77

> view matrix models
> #7,0.14864,-0.90636,0.3955,273.3,-0.80308,-0.34401,-0.48654,149.62,0.57703,-0.2453,-0.77901,124.97

> view matrix models
> #7,0.14864,-0.90636,0.3955,276.63,-0.80308,-0.34401,-0.48654,152.19,0.57703,-0.2453,-0.77901,125.91

> view matrix models
> #7,0.23696,-0.87454,0.42311,278.34,-0.73634,-0.44578,-0.509,152.54,0.63376,-0.19094,-0.7496,127.26

> view matrix models
> #7,0.23696,-0.87454,0.42311,271.76,-0.73634,-0.44578,-0.509,149.71,0.63376,-0.19094,-0.7496,123.64

> view matrix models
> #7,0.066579,-0.92269,0.37975,268.67,-0.81021,-0.27212,-0.51914,148.56,0.58234,-0.27311,-0.76569,122.65

> view matrix models
> #7,-0.085372,-0.93606,0.34131,265.93,-0.85181,-0.10913,-0.51235,148.17,0.51684,-0.33448,-0.78803,121.34

> view matrix models
> #7,-0.27984,-0.91372,0.29462,262.46,-0.90601,0.14984,-0.39585,150.02,0.31755,-0.3777,-0.86977,117.06

> color zone #8 near #7 distance 10

> close #7

> color #8 #ffaa7fff models

> color #8 #ffaa00ff models

> open "D:/PhD common folder/OneDrive - Indian Institute of
> Science/Jose_TH_43S_PIC/New_RSR_models/5me7.pdb"

5me7.pdb title:  
Alphafold monomer V2.0 prediction for eukaryotic translation initiation factor
4E-binding protein 2 (Q13542) [more info...]  
  
Chain information for 5me7.pdb #7  
---  
Chain | Description | UniProt  
A | eukaryotic translation initiation factor 4E-binding protein 2 |
4EBP2_HUMAN  
  

> select #7/A:53

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

47 atoms, 47 bonds, 5 residues, 1 model selected  

> select up

907 atoms, 927 bonds, 120 residues, 1 model selected  

> view matrix models #7,1,0,0,326.15,0,1,0,245.39,0,0,1,55.551

> view matrix models #7,1,0,0,280.05,0,1,0,185.61,0,0,1,108.99

> view matrix models #7,1,0,0,281.07,0,1,0,196.63,0,0,1,117.34

> view matrix models #7,1,0,0,267.56,0,1,0,195.57,0,0,1,115.06

> view matrix models
> #7,0.76347,0.56929,-0.30499,268.68,-0.62433,0.77142,-0.12295,190.82,0.16528,0.28428,0.94439,117.32

> view matrix models
> #7,0.25803,0.80117,-0.53995,267,-0.9583,0.28326,-0.037649,186.72,0.12278,0.52715,0.84086,118.21

> view matrix models
> #7,-0.31469,0.65892,-0.68322,262.9,-0.93995,-0.31655,0.12765,183.33,-0.13216,0.68237,0.71896,117.67

> view matrix models
> #7,-0.53413,0.4659,-0.70543,260.48,-0.78037,-0.59265,0.19945,182.06,-0.32515,0.65704,0.68013,116.58

> view matrix models
> #7,-0.65358,0.26249,-0.70988,258.38,-0.55624,-0.80264,0.21533,180.91,-0.51325,0.5356,0.6706,114.99

> view matrix models
> #7,-0.6545,0.29628,-0.69559,258.83,-0.18615,-0.95485,-0.23156,175.57,-0.73279,-0.022067,0.6801,109.73

> view matrix models
> #7,-0.6545,0.29628,-0.69559,269.75,-0.18615,-0.95485,-0.23156,176.03,-0.73279,-0.022067,0.6801,110.43

> view matrix models
> #7,-0.8358,0.33162,-0.43758,272.45,-0.3065,-0.94305,-0.12927,176.97,-0.45553,0.026078,0.88984,113.76

> view matrix models
> #7,-0.8358,0.33162,-0.43758,274.8,-0.3065,-0.94305,-0.12927,169.51,-0.45553,0.026078,0.88984,103.95

> view matrix models
> #7,-0.8358,0.33162,-0.43758,268.11,-0.3065,-0.94305,-0.12927,157.07,-0.45553,0.026078,0.88984,118.77

> view matrix models
> #7,-0.8358,0.33162,-0.43758,266.12,-0.3065,-0.94305,-0.12927,158.81,-0.45553,0.026078,0.88984,119.61

> color sel gray

> color zone #8 near #7 distance 10

> view matrix models
> #7,-0.8358,0.33162,-0.43758,263.51,-0.3065,-0.94305,-0.12927,159.6,-0.45553,0.026078,0.88984,116.84

> color zone #8 near #7 distance 10

> view matrix models
> #7,-0.8358,0.33162,-0.43758,262.07,-0.3065,-0.94305,-0.12927,159.11,-0.45553,0.026078,0.88984,115.95

> color zone #8 near #7 distance 10

> hide #7 models

> show #7 models

> view matrix models
> #7,-0.8358,0.33162,-0.43758,308.02,-0.3065,-0.94305,-0.12927,242.9,-0.45553,0.026078,0.88984,202.67

> view matrix models
> #7,-0.82274,-0.3136,-0.47408,302.02,0.30377,-0.94752,0.099612,246.73,-0.48044,-0.062054,0.87483,201.68

> view matrix models
> #7,-0.7845,-0.39293,-0.47976,301.35,0.27784,-0.91435,0.29456,249.08,-0.55441,0.097782,0.82648,202.38

> view matrix models
> #7,-0.7845,-0.39293,-0.47976,301.25,0.27784,-0.91435,0.29456,231.74,-0.55441,0.097782,0.82648,204.48

> color zone #8 near #7 distance 10

> hide #7 models

> show #7 models

> view matrix models
> #7,-0.7845,-0.39293,-0.47976,299.36,0.27784,-0.91435,0.29456,236.22,-0.55441,0.097782,0.82648,201.3

> color zone #8 near #7 distance 10

> hide #7 models

> open "D:/PhD common folder/OneDrive - Indian Institute of
> Science/Jose_TH_43S_PIC/New_RSR_models/5me7.pdb"

5me7.pdb title:  
Alphafold monomer V2.0 prediction for eukaryotic translation initiation factor
4E-binding protein 2 (Q13542) [more info...]  
  
Chain information for 5me7.pdb #9  
---  
Chain | Description | UniProt  
A | eukaryotic translation initiation factor 4E-binding protein 2 |
4EBP2_HUMAN  
  

> select clear

> select #9/A:20

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select up

37 atoms, 36 bonds, 5 residues, 1 model selected  

> select up

907 atoms, 927 bonds, 120 residues, 1 model selected  

> view matrix models #9,1,0,0,341.91,0,1,0,205.08,0,0,1,87.373

> view matrix models #9,1,0,0,299.75,0,1,0,230.01,0,0,1,114

> view matrix models #9,1,0,0,305.24,0,1,0,235.26,0,0,1,135.86

> view matrix models #9,1,0,0,270.72,0,1,0,204.67,0,0,1,100.8

> view matrix models #9,1,0,0,268.07,0,1,0,202.86,0,0,1,110.44

> color sel dark gray

> color sel gray

> color zone #8 near #9 distance 10

> view matrix models #9,1,0,0,275.52,0,1,0,202.52,0,0,1,113.94

> color zone #8 near #9 distance 10

> view matrix models #9,1,0,0,278.11,0,1,0,216.96,0,0,1,121.23

> color zone #8 near #9 distance 10

> view matrix models #9,1,0,0,271.52,0,1,0,208.42,0,0,1,118.96

> view matrix models #9,1,0,0,279.89,0,1,0,207.64,0,0,1,121.49

> view matrix models #9,1,0,0,275.27,0,1,0,208.61,0,0,1,119.7

> color zone #8 near #9 distance 10

> close #9

> show #7 models

> color zone #8 near #7 distance 10

> hide #7 models

> open "D:/PhD common folder/OneDrive - Indian Institute of
> Science/Jose_TH_43S_PIC/New_RSR_models/AF-P69222-F1-model_v4.pdb"

AF-P69222-F1-model_v4.pdb title:  
Alphafold monomer V2.0 prediction for translation initiation factor if-1
(P69222) [more info...]  
  
Chain information for AF-P69222-F1-model_v4.pdb #9  
---  
Chain | Description | UniProt  
A | translation initiation factor if-1 | IF1_ECOLI  
  

> select add #9

577 atoms, 584 bonds, 72 residues, 1 model selected  

> view matrix models #9,1,0,0,310.57,0,1,0,177.94,0,0,1,250.53

> view matrix models #9,1,0,0,239.55,0,1,0,195.38,0,0,1,185.32

> view matrix models #9,1,0,0,241.55,0,1,0,169.48,0,0,1,180.9

> view matrix models #9,1,0,0,273.4,0,1,0,189.28,0,0,1,186.03

> view matrix models #9,1,0,0,266.74,0,1,0,185.68,0,0,1,149.01

> view matrix models #9,1,0,0,267.81,0,1,0,178.65,0,0,1,140.93

> view matrix models #9,1,0,0,262.24,0,1,0,178.52,0,0,1,143.53

> color sel gray

> show #7 models

> select add #7/A:68

582 atoms, 588 bonds, 73 residues, 2 models selected  

> select up

606 atoms, 613 bonds, 76 residues, 2 models selected  

> select up

1484 atoms, 1511 bonds, 192 residues, 2 models selected  

> color zone #8 near #9 distance 10

> view matrix models
> #7,-0.7845,-0.39293,-0.47976,300.37,0.27784,-0.91435,0.29456,235.73,-0.55441,0.097782,0.82648,199.71,#9,1,0,0,263.25,0,1,0,178.03,0,0,1,141.94

> color zone #8 near #9 distance 10

> view matrix models
> #7,-0.7845,-0.39293,-0.47976,301.81,0.27784,-0.91435,0.29456,235.77,-0.55441,0.097782,0.82648,199.74,#9,1,0,0,264.69,0,1,0,178.07,0,0,1,141.97

> color zone #8 near #9 distance 10

> color zone #8 near sel distance 10

> select clear

> hide #9 models

> hide #7 models

> lighting full

> lighting simple

> lighting soft

> graphics silhouettes true

> graphics silhouettes false

> hide #!2 models

> transparency #3,8 50

> transparency #3,8 40

> transparency #3,8 60

> hide #!3 models

> transparency #8 20

> transparency #8 100

> transparency #8 80

> transparency #8 0

> lighting flat

> graphics silhouettes false

> lighting soft

> lighting simple

> graphics silhouettes true

> graphics silhouettes false

> lighting shadows true

> lighting shadows false

> transparency #8 20

> transparency #8 40

> volume #8

> volume #8 style surface

> transparency #8 0

> lighting simple

> graphics silhouettes true

> graphics silhouettes false

> graphics silhouettes true

> lighting soft

> graphics silhouettes false

> lighting simple

> graphics silhouettes true

> lighting full

[Repeated 1 time(s)]

> lighting soft

> lighting full

> graphics silhouettes false

> lighting shadows false

> save C:\ProgramData\ChimeraX\image75.png supersample 3

> save "D:/PhD common folder/OneDrive - Indian Institute of
> Science/Jose_TH_43S_PIC/New_RSR_models/eIF5_CTD.cxs"

> close #8

> close #9

> close #7

> color #2 cyan

> show #!3 models

> lighting soft

> graphics silhouettes true

> lighting flat

> graphics silhouettes false

> lighting shadows true intensity 0.5

> lighting flat

> lighting full

> lighting flat

> lighting soft

> show #!2 models

> hide #!3 models

> show #!5 models

> licorice scale #2 2

Unknown command: licorice scale #2 2  

> licorice scale #2 2.0

Unknown command: licorice scale #2 2.0  

> licorice scale #5 2.0

Unknown command: licorice scale #5 2.0  

> repr wireframe #5 radius 0.2

Unknown command: repr wireframe #5 radius 0.2  

> select add #5

86904 atoms, 92314 bonds, 11 pseudobonds, 7914 residues, 2 models selected  

> repr wireframe sel and bonds #5 color AtomRadius

Unknown command: repr wireframe sel and bonds #5 color AtomRadius  

> repr wireframe #5 radius 0.2

Unknown command: repr wireframe #5 radius 0.2  

> select clear

> hide #!2 models

> show #!2 models

> select #5/l:158

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select up

1083 atoms, 1099 bonds, 134 residues, 1 model selected  

> select up

86904 atoms, 92314 bonds, 7914 residues, 1 model selected  

> select add #2/m:12

86911 atoms, 92321 bonds, 7915 residues, 2 models selected  

> select up

87065 atoms, 92481 bonds, 7933 residues, 2 models selected  

> select up

88044 atoms, 93478 bonds, 8061 residues, 2 models selected  

> select ~sel

484110 atoms, 512167 bonds, 3389 pseudobonds, 45964 residues, 14 models
selected  

> cartoon hide (#!2 & sel)

> select #5/l:161

7 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

1083 atoms, 1099 bonds, 134 residues, 1 model selected  

> select up

86904 atoms, 92314 bonds, 7914 residues, 1 model selected  

> select down

1083 atoms, 1099 bonds, 134 residues, 1 model selected  

> ui tool show "Color Actions"

> color sel orchid

> color sel medium violet red

> color sel medium orchid

> select #5/i:109

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

764 atoms, 773 bonds, 95 residues, 1 model selected  

> select up

86904 atoms, 92314 bonds, 7914 residues, 1 model selected  

> select down

764 atoms, 773 bonds, 95 residues, 1 model selected  

> color sel red

> select #5/3:34

20 atoms, 21 bonds, 1 residue, 1 model selected  

> select up

536 atoms, 595 bonds, 26 residues, 1 model selected  

> color sel blue

> select clear

> lighting full

> lighting flat

> lighting soft

> lighting simple

[Repeated 1 time(s)]

> graphics silhouettes false

> lighting shadows true

> lighting soft

> lighting shadows true intensity 0.5

> graphics silhouettes true

> lighting full

> lighting shadows false

> graphics silhouettes false

> lighting soft

> lighting shadows true intensity 0.5

> lighting shadows false

> graphics silhouettes true

> lighting soft

> graphics silhouettes false

> graphics silhouettes true

> lighting shadows true intensity 0.5

> lighting shadows false

> graphics silhouettes false

> graphics silhouettes true

> lighting simple

> lighting shadows true

> lighting shadows false

> graphics silhouettes false

> graphics silhouettes true

> lighting soft

> set bgColor white

> select #5/i:111

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select up

764 atoms, 773 bonds, 95 residues, 1 model selected  

> select add #5/l:183

773 atoms, 781 bonds, 96 residues, 1 model selected  

> select up

1847 atoms, 1872 bonds, 229 residues, 1 model selected  

> select add #2/m:12

1854 atoms, 1879 bonds, 230 residues, 2 models selected  

> select up

2008 atoms, 2039 bonds, 248 residues, 2 models selected  

> select up

2987 atoms, 3036 bonds, 376 residues, 2 models selected  

> view sel

> select clear

> save C:\ProgramData\ChimeraX\image76.png supersample 3

> view

> show #!3 models

> hide #!5 models

> show #!5 models

> select #2/m:12

7 atoms, 7 bonds, 1 residue, 1 model selected  

> select clear

> cartoon #2-3,5

> select #2/l:164

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select up

124 atoms, 126 bonds, 15 residues, 1 model selected  

> select up

546 atoms, 558 bonds, 68 residues, 1 model selected  

> select up

1037 atoms, 1051 bonds, 129 residues, 1 model selected  

> select up

104236 atoms, 109970 bonds, 10152 residues, 1 model selected  

> select down

1037 atoms, 1051 bonds, 129 residues, 1 model selected  

> select ~sel

571117 atoms, 604594 bonds, 3397 pseudobonds, 53896 residues, 16 models
selected  

> cartoon hide (#!2-3,5 & sel)

> cartoon (#!2-3,5 & sel)

> select clear

> hide #!3 models

> hide #!5 models

> select #2/l:164

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select up

124 atoms, 126 bonds, 15 residues, 1 model selected  

> select up

546 atoms, 558 bonds, 68 residues, 1 model selected  

> select up

1037 atoms, 1051 bonds, 129 residues, 1 model selected  

> select up

104236 atoms, 109970 bonds, 10152 residues, 1 model selected  

> select down

1037 atoms, 1051 bonds, 129 residues, 1 model selected  

> select ~sel

571117 atoms, 604594 bonds, 3397 pseudobonds, 53896 residues, 16 models
selected  

> select subtract #1

483998 atoms, 512055 bonds, 3388 pseudobonds, 45949 residues, 14 models
selected  

> select subtract #3

397059 atoms, 419707 bonds, 3376 pseudobonds, 38031 residues, 12 models
selected  

> select subtract #4

293261 atoms, 310136 bonds, 1639 pseudobonds, 27952 residues, 8 models
selected  

> select subtract #5

206357 atoms, 217822 bonds, 1628 pseudobonds, 20038 residues, 6 models
selected  

> select subtract #6

103199 atoms, 108919 bonds, 27 pseudobonds, 10023 residues, 2 models selected  

> cartoon hide (#!2 & sel)

> show #!3 models

> show #!5 models

> show #!4 models

> select #4/l:176

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

31 atoms, 30 bonds, 4 residues, 1 model selected  

> select up

383 atoms, 391 bonds, 49 residues, 1 model selected  

> select up

438 atoms, 444 bonds, 55 residues, 1 model selected  

> select up

872 atoms, 885 bonds, 107 residues, 1 model selected  

> select up

1016 atoms, 1030 bonds, 126 residues, 1 model selected  

> select up

1017 atoms, 1030 bonds, 127 residues, 1 model selected  

> select up

103798 atoms, 109571 bonds, 10079 residues, 1 model selected  

> select down

1017 atoms, 1030 bonds, 127 residues, 1 model selected  

> select ~sel

571137 atoms, 604615 bonds, 3395 pseudobonds, 53898 residues, 16 models
selected  

> select subtract #2

466901 atoms, 494645 bonds, 3365 pseudobonds, 43746 residues, 14 models
selected  

> select subtract #3

379962 atoms, 402297 bonds, 3353 pseudobonds, 35828 residues, 12 models
selected  

> select subtract #5

293058 atoms, 309983 bonds, 3342 pseudobonds, 27914 residues, 10 models
selected  

> select subtract #6

189900 atoms, 201080 bonds, 1741 pseudobonds, 17899 residues, 6 models
selected  

> select subtract #1

102781 atoms, 108541 bonds, 1732 pseudobonds, 9952 residues, 4 models selected  

> cartoon hide (#!4 & sel)

> select #3/l:159

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select up

1083 atoms, 1099 bonds, 134 residues, 1 model selected  

> select up

86939 atoms, 92348 bonds, 7918 residues, 1 model selected  

> select down

1083 atoms, 1099 bonds, 134 residues, 1 model selected  

> color sel yellow

> select clear

> select #5/l:227

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select clear

> hide #!3 models

> show #!3 models

> select #3/l:133

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select up

1083 atoms, 1099 bonds, 134 residues, 1 model selected  

> select ~sel

571071 atoms, 604546 bonds, 3397 pseudobonds, 53891 residues, 16 models
selected  

> select subtract #2

466835 atoms, 494576 bonds, 3367 pseudobonds, 43739 residues, 14 models
selected  

> select subtract #4

363037 atoms, 385005 bonds, 1630 pseudobonds, 33660 residues, 10 models
selected  

> select subtract #5

276133 atoms, 292691 bonds, 1619 pseudobonds, 25746 residues, 8 models
selected  

> select subtract #6

172975 atoms, 183788 bonds, 18 pseudobonds, 15731 residues, 4 models selected  

> select subtract #1

85856 atoms, 91249 bonds, 9 pseudobonds, 7784 residues, 2 models selected  

> cartoon hide (#!3 & sel)

> select clear

> select #5/i:106

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select up

764 atoms, 773 bonds, 95 residues, 1 model selected  

> select add #4/l:165

770 atoms, 778 bonds, 96 residues, 2 models selected  

> select up

892 atoms, 902 bonds, 111 residues, 2 models selected  

> select up

1290 atoms, 1310 bonds, 161 residues, 2 models selected  

> select add #5/l:162

1297 atoms, 1317 bonds, 162 residues, 2 models selected  

> select up

2393 atoms, 2428 bonds, 297 residues, 2 models selected  

> view sel

> select clear

> select #4/l:135

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

82 atoms, 84 bonds, 9 residues, 1 model selected  

> select up

143 atoms, 146 bonds, 17 residues, 1 model selected  

> select up

236 atoms, 241 bonds, 29 residues, 1 model selected  

> select up

526 atoms, 537 bonds, 66 residues, 1 model selected  

> select up

546 atoms, 556 bonds, 68 residues, 1 model selected  

> select up

872 atoms, 885 bonds, 107 residues, 1 model selected  

> select up

1016 atoms, 1030 bonds, 126 residues, 1 model selected  

> select up

1017 atoms, 1030 bonds, 127 residues, 1 model selected  

> select down

1016 atoms, 1030 bonds, 126 residues, 1 model selected  

> ui tool show "Color Actions"

> color sel light pink

> color sel thistle

> color sel pink

> color sel plum

> color sel violet

> color sel plum

> select clear

> save C:\ProgramData\ChimeraX\image77.png supersample 3

> cartoon #2-5

> view

> select add #4

103798 atoms, 109571 bonds, 1737 pseudobonds, 10079 residues, 4 models
selected  

> select subtract #4

Nothing selected  

> select #4/l:161

7 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

128 atoms, 129 bonds, 16 residues, 1 model selected  

> select up

526 atoms, 537 bonds, 66 residues, 1 model selected  

> select up

546 atoms, 556 bonds, 68 residues, 1 model selected  

> select up

872 atoms, 885 bonds, 107 residues, 1 model selected  

> select up

1016 atoms, 1030 bonds, 126 residues, 1 model selected  

> select up

1017 atoms, 1030 bonds, 127 residues, 1 model selected  

> select up

103798 atoms, 109571 bonds, 10079 residues, 1 model selected  

> select down

1017 atoms, 1030 bonds, 127 residues, 1 model selected  

> select add #2/l:163

1024 atoms, 1037 bonds, 128 residues, 2 models selected  

> select up

1141 atoms, 1156 bonds, 142 residues, 2 models selected  

> select up

1563 atoms, 1588 bonds, 195 residues, 2 models selected  

> select up

2054 atoms, 2081 bonds, 256 residues, 2 models selected  

> select up

208034 atoms, 219541 bonds, 20231 residues, 2 models selected  

> select down

2054 atoms, 2081 bonds, 256 residues, 2 models selected  

> select add #3/l:166

2062 atoms, 2088 bonds, 257 residues, 3 models selected  

> select up

3137 atoms, 3180 bonds, 390 residues, 3 models selected  

> select add #5/l:223

3146 atoms, 3188 bonds, 391 residues, 4 models selected  

> select up

4220 atoms, 4279 bonds, 524 residues, 4 models selected  

> select up

381877 atoms, 404203 bonds, 36063 residues, 4 models selected  

> select up

572154 atoms, 605645 bonds, 54025 residues, 6 models selected  

> select down

381877 atoms, 404203 bonds, 36063 residues, 4 models selected  

> select down

4220 atoms, 4279 bonds, 524 residues, 4 models selected  

> select add #3/i:117

4225 atoms, 4283 bonds, 525 residues, 4 models selected  

> select up

5019 atoms, 5086 bonds, 623 residues, 4 models selected  

> select up

381877 atoms, 404203 bonds, 36063 residues, 4 models selected  

> select ~sel

190277 atoms, 201442 bonds, 1610 pseudobonds, 17962 residues, 6 models
selected  

> cartoon hide #2-5

> cartoon #2-5

> select clear

> hide #!3 models

> hide #!4 models

> hide #!5 models

> select #2/l:161

7 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

124 atoms, 126 bonds, 15 residues, 1 model selected  

> select up

546 atoms, 558 bonds, 68 residues, 1 model selected  

> select up

1037 atoms, 1051 bonds, 129 residues, 1 model selected  

> select down

546 atoms, 558 bonds, 68 residues, 1 model selected  

> select up

1037 atoms, 1051 bonds, 129 residues, 1 model selected  

> select up

104236 atoms, 109970 bonds, 10152 residues, 1 model selected  

> select down

1037 atoms, 1051 bonds, 129 residues, 1 model selected  

> select ~sel

571117 atoms, 604594 bonds, 3397 pseudobonds, 53896 residues, 16 models
selected  

> select subtract #3

484178 atoms, 512246 bonds, 3385 pseudobonds, 45978 residues, 14 models
selected  

> select subtract #4

380380 atoms, 402675 bonds, 1648 pseudobonds, 35899 residues, 10 models
selected  

> select subtract #6

277222 atoms, 293772 bonds, 47 pseudobonds, 25884 residues, 6 models selected  

> select subtract #5

190318 atoms, 201458 bonds, 36 pseudobonds, 17970 residues, 4 models selected  

> select subtract #1

103199 atoms, 108919 bonds, 27 pseudobonds, 10023 residues, 2 models selected  

> cartoon hide (#!2 & sel)

> hide #!2 models

> select add #2

104236 atoms, 109970 bonds, 30 pseudobonds, 10152 residues, 2 models selected  

> show #!3 models

> select subtract #2

Nothing selected  

> select #3/l:158

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select up

1083 atoms, 1099 bonds, 134 residues, 1 model selected  

> select ~sel

571071 atoms, 604546 bonds, 3397 pseudobonds, 53891 residues, 16 models
selected  

> select subtract #1

483952 atoms, 512007 bonds, 3388 pseudobonds, 45944 residues, 14 models
selected  

> select subtract #2

379716 atoms, 402037 bonds, 3358 pseudobonds, 35792 residues, 12 models
selected  

> select subtract #4

275918 atoms, 292466 bonds, 1621 pseudobonds, 25713 residues, 8 models
selected  

> select subtract #5

189014 atoms, 200152 bonds, 1610 pseudobonds, 17799 residues, 6 models
selected  

> select subtract #6

85856 atoms, 91249 bonds, 9 pseudobonds, 7784 residues, 2 models selected  

> select #4/2

38251 atoms, 42691 bonds, 1630 pseudobonds, 1874 residues, 3 models selected  

> cartoon hide #3

> show #!2 models

> select add #3

125190 atoms, 135039 bonds, 1642 pseudobonds, 9792 residues, 5 models selected  

> select subtract #3

38251 atoms, 42691 bonds, 1630 pseudobonds, 1874 residues, 3 models selected  

> show #!4 models

> select add #3

125190 atoms, 135039 bonds, 1642 pseudobonds, 9792 residues, 5 models selected  

> select add #4

190737 atoms, 201919 bonds, 1749 pseudobonds, 17997 residues, 6 models
selected  

> select subtract #4

86939 atoms, 92348 bonds, 12 pseudobonds, 7918 residues, 2 models selected  

> hide #!4 models

> hide #!2 models

> cartoon (#!3 & sel)

> select down

11 atoms, 11 bonds, 12 pseudobonds, 1 residue, 2 models selected  

> select #3/l:146

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

1083 atoms, 1099 bonds, 134 residues, 1 model selected  

> select ~sel

571071 atoms, 604546 bonds, 3397 pseudobonds, 53891 residues, 16 models
selected  

> select subtract #1

483952 atoms, 512007 bonds, 3388 pseudobonds, 45944 residues, 14 models
selected  

> select subtract #2

379716 atoms, 402037 bonds, 3358 pseudobonds, 35792 residues, 12 models
selected  

> select subtract #4

275918 atoms, 292466 bonds, 1621 pseudobonds, 25713 residues, 8 models
selected  

> select subtract #5

189014 atoms, 200152 bonds, 1610 pseudobonds, 17799 residues, 6 models
selected  

> select subtract #6

85856 atoms, 91249 bonds, 9 pseudobonds, 7784 residues, 2 models selected  

> cartoon hide (#!3 & sel)

> show #!2 models

> select clear

> show #!4 models

> hide #!3 models

> hide #!2 models

> select #4/l:161

7 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

128 atoms, 129 bonds, 16 residues, 1 model selected  

> select up

526 atoms, 537 bonds, 66 residues, 1 model selected  

> select up

546 atoms, 556 bonds, 68 residues, 1 model selected  

> select up

872 atoms, 885 bonds, 107 residues, 1 model selected  

> select ~sel

571282 atoms, 604760 bonds, 3396 pseudobonds, 53918 residues, 16 models
selected  

> select subtract #3

484343 atoms, 512412 bonds, 3384 pseudobonds, 46000 residues, 14 models
selected  

> select subtract #2

380107 atoms, 402442 bonds, 3354 pseudobonds, 35848 residues, 12 models
selected  

> select subtract #1

292988 atoms, 309903 bonds, 3345 pseudobonds, 27901 residues, 10 models
selected  

> select subtract #5

206084 atoms, 217589 bonds, 3334 pseudobonds, 19987 residues, 8 models
selected  

> select subtract #6

102926 atoms, 108686 bonds, 1733 pseudobonds, 9972 residues, 4 models selected  

> cartoon hide (#!4 & sel)

> hide #!4 models

> show #!5 models

> select add #4

103798 atoms, 109571 bonds, 1737 pseudobonds, 10079 residues, 4 models
selected  

> select subtract #4

Nothing selected  

> select #5/3:34

20 atoms, 21 bonds, 1 residue, 1 model selected  

> select up

536 atoms, 595 bonds, 26 residues, 1 model selected  

> select add #5/i:28

548 atoms, 607 bonds, 27 residues, 1 model selected  

> select up

1300 atoms, 1368 bonds, 121 residues, 1 model selected  

> select add #5/l:161

1307 atoms, 1375 bonds, 122 residues, 1 model selected  

> select up

2383 atoms, 2467 bonds, 255 residues, 1 model selected  

> select ~sel

569771 atoms, 603178 bonds, 3397 pseudobonds, 53770 residues, 16 models
selected  

> select subtract #4

465973 atoms, 493607 bonds, 1660 pseudobonds, 43691 residues, 12 models
selected  

> select subtract #3

379034 atoms, 401259 bonds, 1648 pseudobonds, 35773 residues, 10 models
selected  

> select subtract #2

274798 atoms, 291289 bonds, 1618 pseudobonds, 25621 residues, 8 models
selected  

> select subtract #6

171640 atoms, 182386 bonds, 17 pseudobonds, 15606 residues, 4 models selected  

> select subtract #1

84521 atoms, 89847 bonds, 8 pseudobonds, 7659 residues, 2 models selected  

> surface (#!5 & sel)

> color #5 #ffaa00ff

> select clear

> select #5/i:109

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

764 atoms, 773 bonds, 95 residues, 1 model selected  

> color sel red

> select #5/l:183

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select up

1083 atoms, 1099 bonds, 134 residues, 1 model selected  

> ui tool show "Color Actions"

> color sel medium orchid

> select clear

> select #5/3:18

20 atoms, 21 bonds, 1 residue, 1 model selected  

> select up

536 atoms, 595 bonds, 26 residues, 1 model selected  

> color sel medium blue

> select clear

> transparency #5 10

> show #!3 models

> show #!2 models

> show #!4 models

> select #4/l:164

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select up

128 atoms, 129 bonds, 16 residues, 1 model selected  

> select up

526 atoms, 537 bonds, 66 residues, 1 model selected  

> select up

546 atoms, 556 bonds, 68 residues, 1 model selected  

> select up

872 atoms, 885 bonds, 107 residues, 1 model selected  

> select add #5/i:107

876 atoms, 888 bonds, 108 residues, 2 models selected  

> select up

1780 atoms, 1803 bonds, 221 residues, 2 models selected  

> select add #5/l:162

1787 atoms, 1810 bonds, 222 residues, 2 models selected  

> select up

2863 atoms, 2902 bonds, 355 residues, 2 models selected  

> view sel

> select clear

> lighting soft

> lighting simple

> lighting full

> lighting flat

> select #5/l:127

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select up

1083 atoms, 1099 bonds, 134 residues, 1 model selected  

> color sel purple

> select clear

> lighting soft

> lighting shadows true intensity 0.5

> lighting shadows false

> graphics silhouettes false

> graphics silhouettes true

> lighting simple

> lighting soft

> graphics silhouettes false

> graphics silhouettes true

> graphics silhouettes false

> graphics silhouettes true

> lighting shadows true intensity 0.5

> lighting shadows false

> lighting shadows true

> lighting shadows false

> lighting soft

> save C:\ProgramData\ChimeraX\image78.png supersample 3

> save "D:/PhD common folder/OneDrive - Indian Institute of
> Science/Jose_TH_43S_PIC/New_RSR_models/eIF2beta_intermediates.cxs"

> hide #!5 models

> hide #!3 models

> hide #!2 models

> hide #!4 models

> show #!6 models

> view

> select #6/l:162

7 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

106 atoms, 109 bonds, 13 residues, 1 model selected  

> select up

558 atoms, 571 bonds, 70 residues, 1 model selected  

> select up

567 atoms, 579 bonds, 71 residues, 1 model selected  

> select up

904 atoms, 919 bonds, 111 residues, 1 model selected  

> select up

1048 atoms, 1064 bonds, 130 residues, 1 model selected  

> show #!3 models

> hide #!3 models

> show #!5 models

> hide #!6 models

> show #!6 models

> hide #!5 models

> select #6/m:66

4 atoms, 3 bonds, 1 residue, 1 model selected  

> select up

27 atoms, 26 bonds, 4 residues, 1 model selected  

> select up

736 atoms, 744 bonds, 96 residues, 1 model selected  

> show #!5 models

> hide #!6 models

> show #!2 models

> cartoon #2,5

> select #2/m:9

5 atoms, 4 bonds, 1 residue, 1 model selected  

> select up

161 atoms, 167 bonds, 19 residues, 1 model selected  

> select up

1140 atoms, 1164 bonds, 147 residues, 1 model selected  

> select ~sel

571014 atoms, 604481 bonds, 3400 pseudobonds, 53878 residues, 16 models
selected  

> select subtract #1

483895 atoms, 511942 bonds, 3391 pseudobonds, 45931 residues, 52 models
selected  

> select subtract #3

396956 atoms, 419594 bonds, 3379 pseudobonds, 38013 residues, 50 models
selected  

> select subtract #4

293158 atoms, 310023 bonds, 1642 pseudobonds, 27934 residues, 46 models
selected  

> select subtract #5

206254 atoms, 217709 bonds, 1631 pseudobonds, 20020 residues, 44 models
selected  

> select subtract #6

103096 atoms, 108806 bonds, 30 pseudobonds, 10005 residues, 2 models selected  

> cartoon hide (#!2 & sel)

> show #!4 models

> select add #2

104236 atoms, 109970 bonds, 30 pseudobonds, 10152 residues, 2 models selected  

> select subtract #2

Nothing selected  

> select add #4

103798 atoms, 109571 bonds, 1737 pseudobonds, 10079 residues, 4 models
selected  

> cartoon (#!4 & sel)

> select clear

> select #4/m:23

5 atoms, 4 bonds, 1 residue, 1 model selected  

> select up

65 atoms, 66 bonds, 9 residues, 1 model selected  

> select up

716 atoms, 724 bonds, 90 residues, 1 model selected  

> select ~sel

571438 atoms, 604921 bonds, 3400 pseudobonds, 53935 residues, 16 models
selected  

> select subtract #1

484319 atoms, 512382 bonds, 3391 pseudobonds, 45988 residues, 52 models
selected  

> select subtract #2

380083 atoms, 402412 bonds, 3361 pseudobonds, 35836 residues, 50 models
selected  

> select subtract #3

293144 atoms, 310064 bonds, 3349 pseudobonds, 27918 residues, 48 models
selected  

> select subtract #5

206240 atoms, 217750 bonds, 3338 pseudobonds, 20004 residues, 46 models
selected  

> select subtract #6

103082 atoms, 108847 bonds, 1737 pseudobonds, 9989 residues, 4 models selected  

> cartoon hide (#!4 & sel)

> save C:\ProgramData\ChimeraX\image79.png supersample 3

> save C:\ProgramData\ChimeraX\image80.png supersample 3

> hide #!5 models

> surface hidePatches (#!4 & sel)

> show #!5 models

> select add #5

189986 atoms, 201161 bonds, 1748 pseudobonds, 17903 residues, 6 models
selected  

> select add #4

190702 atoms, 201885 bonds, 1748 pseudobonds, 17993 residues, 44 models
selected  

> select subtract #4

86904 atoms, 92314 bonds, 11 pseudobonds, 7914 residues, 40 models selected  

> surface hidePatches (#!5 & sel)

> show #!3 models

> hide #!5 models

> select subtract #5

38 models selected  

> select add #3

86939 atoms, 92348 bonds, 12 pseudobonds, 7918 residues, 2 models selected  

> cartoon (#!3 & sel)

> select clear

> select #3/l:184

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

1083 atoms, 1099 bonds, 134 residues, 1 model selected  

> select ~sel

571071 atoms, 604546 bonds, 3397 pseudobonds, 53891 residues, 16 models
selected  

> select subtract #2

466835 atoms, 494576 bonds, 3367 pseudobonds, 43739 residues, 52 models
selected  

> select subtract #4

363037 atoms, 385005 bonds, 1630 pseudobonds, 33660 residues, 48 models
selected  

> select subtract #5

276133 atoms, 292691 bonds, 1619 pseudobonds, 25746 residues, 46 models
selected  

> select subtract #6

172975 atoms, 183788 bonds, 18 pseudobonds, 15731 residues, 4 models selected  

> select subtract #1

85856 atoms, 91249 bonds, 9 pseudobonds, 7784 residues, 2 models selected  

> surface (#!3 & sel)

> color #3 #ffaa00ff

> select clear

> select #3/l:144

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select up

1083 atoms, 1099 bonds, 134 residues, 1 model selected  

> select up

86939 atoms, 92348 bonds, 7918 residues, 1 model selected  

> select down

1083 atoms, 1099 bonds, 134 residues, 41 models selected  

> select down

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select up

1083 atoms, 1099 bonds, 134 residues, 1 model selected  

> ui tool show "Color Actions"

> color sel dark orchid

> select clear

> select #3/l:160

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

1083 atoms, 1099 bonds, 134 residues, 1 model selected  

> color sel purple

> select clear

> transparency #2-4 20

> select #3/i:110@CA

1 atom, 1 residue, 1 model selected  

> select up

7 atoms, 7 bonds, 1 residue, 2 models selected  

> select up

799 atoms, 807 bonds, 99 residues, 2 models selected  

> surface hidePatches (#!3 & sel)

> color (#!3 & sel) red

> select clear

> select #4/m:106

10 atoms, 10 bonds, 1 residue, 1 model selected  

> select add #4/m:107

14 atoms, 13 bonds, 2 residues, 1 model selected  

> select add #4/m:105

22 atoms, 20 bonds, 3 residues, 1 model selected  

> show sel target ab

> select #3/l:215

4 atoms, 3 bonds, 1 residue, 1 model selected  

> show sel target ab

[Repeated 2 time(s)]

> cartoon hide sel

> select #3/l:216

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel target ab

> select #3/l:201

7 atoms, 6 bonds, 1 residue, 1 model selected  

> show sel target ab

> select #3/l:197

5 atoms, 4 bonds, 1 residue, 1 model selected  

> show sel target ab

> hide sel atoms

> select #3/l:223

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select up

1083 atoms, 1099 bonds, 134 residues, 1 model selected  

> hide sel atoms

> select clear

> select #4/m:104

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select up

105 atoms, 106 bonds, 13 residues, 1 model selected  

> select up

716 atoms, 724 bonds, 90 residues, 1 model selected  

> hide sel atoms

> select clear

> save C:\ProgramData\ChimeraX\image81.png supersample 3

> save C:\ProgramData\ChimeraX\image82.png supersample 3

> save "D:/PhD common folder/OneDrive - Indian Institute of
> Science/Jose_TH_43S_PIC/New_RSR_models/eIF2beta_intermediates_2.cxs"

——— End of log from Sat May 6 17:06:28 2023 ———

opened ChimeraX session  

> select #3/i:109

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

799 atoms, 807 bonds, 99 residues, 2 models selected  

> select add #2/m:102

805 atoms, 812 bonds, 100 residues, 3 models selected  

> select up

869 atoms, 877 bonds, 109 residues, 3 models selected  

> select up

1939 atoms, 1971 bonds, 246 residues, 3 models selected  

> select add #4/m:48

1948 atoms, 1979 bonds, 247 residues, 4 models selected  

> select up

2032 atoms, 2065 bonds, 257 residues, 4 models selected  

> select up

2655 atoms, 2695 bonds, 336 residues, 4 models selected  

> select add #3/l:179

2663 atoms, 2702 bonds, 337 residues, 4 models selected  

> select up

3738 atoms, 3794 bonds, 470 residues, 4 models selected  

> select ~sel & ##selected

291235 atoms, 308095 bonds, 1775 pseudobonds, 27679 residues, 8 models
selected  

> hide sel cartoons

> select clear

> select #3/l:136

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select up

1083 atoms, 1099 bonds, 134 residues, 1 model selected  

> ui tool show "Color Actions"

> color sel dark salmon

> color sel antique white

> color sel wheat

> color sel navajo white

> color sel pink

> color sel peach puff

> color sel navajo white

> color sel moccasin

> color sel bisque

> color sel misty rose

> color sel blanched almond

> color sel khaki

> color sel tan

> color sel burly wood

> color sel silver

> color sel light steel blue

> color sel green

> select clear

> preset "overall look" "publication 1 (silhouettes)"

Using preset: Overall Look / Publication 1 (Silhouettes)  
Preset expands to these ChimeraX commands:

    
    
    set bg white
    graphics silhouettes t
    lighting depthCue f

  

> show #!5 models

> hide #!5 models

> select #3/i:35

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select up

799 atoms, 807 bonds, 99 residues, 2 models selected  

> color (#!3 & sel) lime

> select clear

> select #2/m:126

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select up

46 atoms, 46 bonds, 6 residues, 1 model selected  

> select up

1140 atoms, 1164 bonds, 147 residues, 1 model selected  

> color sel red

> select clear

> select #4/m:47

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select up

93 atoms, 94 bonds, 11 residues, 1 model selected  

> select up

716 atoms, 724 bonds, 90 residues, 1 model selected  

> color sel yellow

> select clear

> select #3/2:1248@P

1 atom, 1 residue, 1 model selected  

> select up

20 atoms, 21 bonds, 1 residue, 2 models selected  

> select up

33557 atoms, 37527 bonds, 1579 residues, 2 models selected  

> ui tool show "Color Actions"

> color sel dark khaki

> color sel gold

> color sel dark khaki

> select clear

> select #3/f:87@C

1 atom, 1 residue, 1 model selected  

> select up

7 atoms, 6 bonds, 1 residue, 2 models selected  

> select up

584 atoms, 597 bonds, 74 residues, 2 models selected  

> select up

585 atoms, 597 bonds, 75 residues, 2 models selected  

> select up

86939 atoms, 92348 bonds, 7918 residues, 2 models selected  

> color sel dark khaki

> undo

> select clear

> hide #!3 models

> show #!3 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!4 models

> show #!4 models

> hide #!4 models

> show #!4 models

> hide #!4 models

> hide #!3 models

> show #!3 models

> hide #!2 models

> hide #!3 models

> show #!3 models

> select #3/2:1003@O2

1 atom, 1 residue, 1 model selected  

> select up

20 atoms, 21 bonds, 1 residue, 2 models selected  

> select up

33557 atoms, 37527 bonds, 1579 residues, 2 models selected  

> ui tool show "Color Actions"

> color sel dark khaki

> select #3/1:49@O3'

1 atom, 1 residue, 1 model selected  

> select up

21 atoms, 22 bonds, 1 residue, 2 models selected  

> select up

1639 atoms, 1828 bonds, 75 residues, 2 models selected  

> select up

86939 atoms, 92348 bonds, 7918 residues, 2 models selected  

> ui tool show "Color Actions"

> color sel dark khaki

> undo

> select clear

> select #3/f:85@CA

1 atom, 1 residue, 1 model selected  

> select up

12 atoms, 12 bonds, 1 residue, 2 models selected  

> select up

584 atoms, 597 bonds, 74 residues, 2 models selected  

> ui tool show "Color Actions"

> color sel dark khaki

> select clear

> select #3/2:567@P

1 atom, 1 residue, 1 model selected  

> select up

23 atoms, 25 bonds, 1 residue, 2 models selected  

> select up

33557 atoms, 37527 bonds, 1579 residues, 2 models selected  

> color sel dark khaki

[Repeated 1 time(s)]

> select #3/1:47@C5

1 atom, 1 residue, 1 model selected  

> select up

20 atoms, 21 bonds, 1 residue, 2 models selected  

> select up

1639 atoms, 1828 bonds, 75 residues, 2 models selected  

> color sel dark khaki

> color sel beige

> color sel wheat

> select #3/2:995@OP2

1 atom, 1 residue, 1 model selected  

> select up

20 atoms, 21 bonds, 1 residue, 2 models selected  

> select up

33557 atoms, 37527 bonds, 1579 residues, 2 models selected  

> color sel beige

> color sel wheat

> select clear

> select #3/f:85@CB

1 atom, 1 residue, 1 model selected  

> select up

12 atoms, 12 bonds, 1 residue, 2 models selected  

> select up

584 atoms, 597 bonds, 74 residues, 2 models selected  

> color sel wheat

> select #3/P:125@O

1 atom, 1 residue, 1 model selected  

> select up

7 atoms, 7 bonds, 1 residue, 2 models selected  

> select up

923 atoms, 942 bonds, 117 residues, 2 models selected  

> color sel wheat

> select #3/S:144@CB

1 atom, 1 residue, 1 model selected  

> select up

11 atoms, 10 bonds, 1 residue, 2 models selected  

> select up

1189 atoms, 1208 bonds, 145 residues, 2 models selected  

> color sel wheat

> select #3/Z:28@C

1 atom, 1 residue, 1 model selected  

> select up

5 atoms, 4 bonds, 1 residue, 2 models selected  

> select up

594 atoms, 603 bonds, 78 residues, 2 models selected  

> color sel wheat

> select #3/j:41@O

1 atom, 1 residue, 1 model selected  

> select up

8 atoms, 7 bonds, 1 residue, 2 models selected  

> select up

2145 atoms, 2177 bonds, 267 residues, 2 models selected  

> color sel wheat

> select #3/F:209@CA

1 atom, 1 residue, 1 model selected  

> select up

7 atoms, 6 bonds, 1 residue, 2 models selected  

> select up

1609 atoms, 1628 bonds, 206 residues, 2 models selected  

> color sel wheat

> select clear

> select #3/B:54@CD1

1 atom, 1 residue, 1 model selected  

> select up

8 atoms, 7 bonds, 1 residue, 2 models selected  

> select up

1799 atoms, 1823 bonds, 225 residues, 2 models selected  

> color sel wheat

> select clear

> select #3/k:256@CB

1 atom, 1 residue, 1 model selected  

> select up

9 atoms, 8 bonds, 1 residue, 2 models selected  

> select up

3604 atoms, 3664 bonds, 471 residues, 2 models selected  

> color sel wheat

> select #3/X:68@CG1

1 atom, 1 residue, 1 model selected  

> select up

8 atoms, 7 bonds, 1 residue, 2 models selected  

> select up

1119 atoms, 1137 bonds, 144 residues, 2 models selected  

> color sel wheat

> select #3/h:23@CD

1 atom, 1 residue, 1 model selected  

> select up

11 atoms, 10 bonds, 1 residue, 2 models selected  

> select up

233 atoms, 234 bonds, 25 residues, 2 models selected  

> color sel wheat

> select #3/e:17@CA

1 atom, 1 residue, 1 model selected  

> select up

9 atoms, 8 bonds, 1 residue, 2 models selected  

> select up

472 atoms, 480 bonds, 60 residues, 2 models selected  

> color sel wheat

> select #3/D:178@NH2

1 atom, 1 residue, 1 model selected  

> select up

11 atoms, 10 bonds, 1 residue, 2 models selected  

> select up

1774 atoms, 1800 bonds, 227 residues, 2 models selected  

> color sel wheat

> select #3/3:33@N3

1 atom, 1 residue, 1 model selected  

> select up

20 atoms, 21 bonds, 1 residue, 2 models selected  

> select up

536 atoms, 595 bonds, 26 residues, 2 models selected  

> color sel wheat

> select #3/Q:143@CG

1 atom, 1 residue, 1 model selected  

> select up

11 atoms, 10 bonds, 1 residue, 2 models selected  

> color sel wheat

> select clear

> select #3/C:40@N

1 atom, 1 residue, 1 model selected  

> select up

14 atoms, 15 bonds, 1 residue, 2 models selected  

> color sel wheat

> select clear

> select #3/C:37@CB

1 atom, 1 residue, 1 model selected  

> select up

5 atoms, 4 bonds, 1 residue, 2 models selected  

> select up

1648 atoms, 1678 bonds, 220 residues, 2 models selected  

> color sel wheat

> select clear

> select #3/Q:142@O

1 atom, 1 residue, 1 model selected  

> select up

12 atoms, 12 bonds, 1 residue, 2 models selected  

> color sel wheat

> select clear

> show #!2 models

> show #!4 models

> select #4/m:101

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select up

105 atoms, 106 bonds, 13 residues, 1 model selected  

> select up

716 atoms, 724 bonds, 90 residues, 1 model selected  

> color sel cyan

> select clear

> lighting soft

> graphics silhouettes false

> graphics silhouettes true

> lighting shadows true intensity 0.5

> lighting shadows false

> lighting shadows true

> lighting shadows false

> lighting shadows true

> lighting shadows false

> lighting shadows true

> lighting shadows false

> preset "overall look" "publication 1 (silhouettes)"

Using preset: Overall Look / Publication 1 (Silhouettes)  
Preset expands to these ChimeraX commands:

    
    
    set bg white
    graphics silhouettes t
    lighting depthCue f

  

> graphics silhouettes false

> graphics silhouettes true

> graphics silhouettes false

> lighting shadows true

> graphics silhouettes true

> lighting simple

> graphics silhouettes false

> graphics silhouettes true

> lighting shadows true

> graphics silhouettes false

> graphics silhouettes true

> lighting flat

[Repeated 1 time(s)]

> lighting simple

> lighting shadows true

> lighting shadows false

> graphics silhouettes false

> graphics silhouettes true

> lighting full

> lighting shadows false

> save C:\ProgramData\ChimeraX\image139.png supersample 3

> show #!5 models

> hide #!3 models

> show #!3 models

> hide #!5 models

> show #!5 models

> hide #!5 models

> select #3/l:162

7 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

1083 atoms, 1099 bonds, 134 residues, 1 model selected  

> hide sel cartoons

> select #3/1:36@O3'

1 atom, 1 residue, 1 model selected  

> select #3/i:34

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select up

799 atoms, 807 bonds, 99 residues, 2 models selected  

> hide sel cartoons

> show #!5 models

> select #5/i:108

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select up

764 atoms, 773 bonds, 95 residues, 1 model selected  

> color sel lime

> select clear

> select #5/i:53

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

764 atoms, 773 bonds, 95 residues, 1 model selected  

> select add #5/l:157

773 atoms, 781 bonds, 96 residues, 1 model selected  

> select up

1847 atoms, 1872 bonds, 229 residues, 1 model selected  

> select ~sel & ##selected

85057 atoms, 90442 bonds, 8 pseudobonds, 7685 residues, 2 models selected  

> hide sel cartoons

> select clear

> select #5/l:148

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select up

1083 atoms, 1099 bonds, 134 residues, 1 model selected  

> ui tool show "Color Actions"

> color sel dark green

> color sel green

> select clear

> select #5/l:181

5 atoms, 4 bonds, 1 residue, 1 model selected  

> select up

1083 atoms, 1099 bonds, 134 residues, 1 model selected  

> color sel forest green

> ui tool show "Color Actions"

> color sel dark green

> select clear

> select #5/l:241

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select up

1083 atoms, 1099 bonds, 134 residues, 1 model selected  

> ui tool show "Color Actions"

> color sel green

> select clear

> select #3/k:255@NE

1 atom, 1 residue, 1 model selected  

> select add #3/k:255@NH2

2 atoms, 1 residue, 2 models selected  

> select add #3/k:255@CD

3 atoms, 1 residue, 2 models selected  

> select add #3/k:255@NH1

4 atoms, 1 residue, 2 models selected  

> select add #3/k:255@CG

5 atoms, 1 residue, 2 models selected  

> select add #3/k:256@N

6 atoms, 2 residues, 2 models selected  

> select add #3/k:255@CA

7 atoms, 2 residues, 2 models selected  

> select add #3/k:255@CB

8 atoms, 2 residues, 2 models selected  

> surface hidePatches (#!3 & sel)

> select #3/k:255@CZ

1 atom, 1 residue, 1 model selected  

> select add #3/k:256@OE1

2 atoms, 2 residues, 2 models selected  

> select add #3/k:256@CB

3 atoms, 2 residues, 2 models selected  

> select add #3/k:256@CG

4 atoms, 2 residues, 2 models selected  

> select add #3/k:256@CD

5 atoms, 2 residues, 2 models selected  

> select add #3/k:256@OE2

6 atoms, 2 residues, 2 models selected  

> surface hidePatches (#!3 & sel)

> select #3/k:257@N

1 atom, 1 residue, 1 model selected  

> select add #3/k:257@CB

2 atoms, 1 residue, 2 models selected  

> select subtract #3/k:257@CB

1 atom, 1 residue, 2 models selected  
Drag select of beta_no1_cl2_rsr_real_space_refined.cif_k SES surface, 226 of
438680 triangles, 1 residues  

> select #3/k:257@N

1 atom, 1 residue, 1 model selected  

> select add #3/k:257@CB

2 atoms, 1 residue, 2 models selected  

> select add #3/k:256@O

3 atoms, 2 residues, 2 models selected  

> select add #3/k:256@C

4 atoms, 2 residues, 2 models selected  

> select add #3/k:257@CG

5 atoms, 2 residues, 2 models selected  

> select add #3/k:257@CA

6 atoms, 2 residues, 2 models selected  

> select add #3/k:257@OE2

7 atoms, 2 residues, 2 models selected  

> select add #3/k:257@CD

8 atoms, 2 residues, 2 models selected  

> select add #3/k:257@OE1

9 atoms, 2 residues, 2 models selected  

> surface hidePatches (#!3 & sel)

> select #3/k:261@CG

1 atom, 1 residue, 1 model selected  

> select #3/k:257@O

1 atom, 1 residue, 1 model selected  

> select add #3/k:260@CB

2 atoms, 2 residues, 2 models selected  

> select add #3/k:261@N

3 atoms, 3 residues, 2 models selected  

> select add #3/k:261@CG

4 atoms, 3 residues, 2 models selected  

> select add #3/k:261@CA

5 atoms, 3 residues, 2 models selected  

> select add #3/k:261@CD

6 atoms, 3 residues, 2 models selected  

> select add #3/k:261@OE2

7 atoms, 3 residues, 2 models selected  

> surface hidePatches (#!3 & sel)

> select clear

> save C:\ProgramData\ChimeraX\image140.png supersample 3

> save "D:/PhD common folder/OneDrive - Indian Institute of
> Science/Jose_TH_43S_PIC/New_RSR_models/eIF2beta_eIF1A_eIF5placement.cxs"

> preset "overall look" "publication 1 (silhouettes)"

Using preset: Overall Look / Publication 1 (Silhouettes)  
Preset expands to these ChimeraX commands:

    
    
    set bg white
    graphics silhouettes t
    lighting depthCue f

  

> graphics silhouettes false

> graphics silhouettes true

> lighting soft

[Repeated 1 time(s)]

> lighting simple

> lighting soft

> save C:\ProgramData\ChimeraX\image141.png supersample 3

> hide #!5 models

> hide #!3 models

> show #!3 models

> select #3/I

1489 atoms, 1515 bonds, 1 pseudobond, 188 residues, 2 models selected  

> show sel cartoons

> select #4/m#6/m

1452 atoms, 1468 bonds, 186 residues, 2 models selected  

> show sel & #!4 cartoons

> select clear

> close #6

> show #!1 models

> hide #!1 models

> close #1

> select #2/I#3/I#5/I

4467 atoms, 4545 bonds, 3 pseudobonds, 564 residues, 6 models selected  

> show sel & #!2-3 cartoons

> select #3/l

1083 atoms, 1099 bonds, 3 pseudobonds, 134 residues, 2 models selected  

> show sel cartoons

> select clear

> select #4/i

884 atoms, 894 bonds, 111 residues, 1 model selected  

> show sel cartoons

> hide sel cartoons

> select clear

> select #3/i

799 atoms, 807 bonds, 1 pseudobond, 99 residues, 2 models selected  

> show sel cartoons

> select clear

> preset "overall look" "publication 1 (silhouettes)"

Using preset: Overall Look / Publication 1 (Silhouettes)  
Preset expands to these ChimeraX commands:

    
    
    set bg white
    graphics silhouettes t
    lighting depthCue f

  

> save C:\ProgramData\ChimeraX\image142.png supersample 3

> save C:\ProgramData\ChimeraX\image143.png supersample 3

> select #3/l:183

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select up

1083 atoms, 1099 bonds, 134 residues, 1 model selected  

> color sel purple

> select clear

[Repeated 1 time(s)]

> select #3/l:144

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select up

1083 atoms, 1099 bonds, 134 residues, 1 model selected  

> color sel blue

> select clear

> select #2/m:12

7 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

161 atoms, 167 bonds, 19 residues, 1 model selected  

> select up

1140 atoms, 1164 bonds, 147 residues, 1 model selected  

> color sel magenta

> color sel hot pink

> select clear

> select #4/m:103

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

105 atoms, 106 bonds, 13 residues, 1 model selected  

> select up

716 atoms, 724 bonds, 90 residues, 1 model selected  

> ui tool show "Color Actions"

> color sel indian red

> color sel coral

> color sel brown

> color sel tomato

> color sel dark khaki

> color sel medium turquoise

> color sel dark turquoise

> color sel medium spring green

> color sel dodger blue

> color sel peru

> color sel dark goldenrod

> color sel gold

> select clear

> select #4/m:35

4 atoms, 3 bonds, 1 residue, 1 model selected  

> select up

59 atoms, 58 bonds, 7 residues, 1 model selected  

> select up

716 atoms, 724 bonds, 90 residues, 1 model selected  

> select clear

> select #3/i:108

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select up

799 atoms, 807 bonds, 99 residues, 2 models selected  

> ui tool show "Color Actions"

> color sel spring green

> color sel lawn green

> select clear

> select #4/m:101

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select up

105 atoms, 106 bonds, 13 residues, 1 model selected  

> select up

716 atoms, 724 bonds, 90 residues, 1 model selected  

> color sel red

> select #2/m:13

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select up

161 atoms, 167 bonds, 19 residues, 1 model selected  

> select up

1140 atoms, 1164 bonds, 147 residues, 1 model selected  

> color sel yellow

> ui tool show "Color Actions"

> color sel gold

> color sel orange

> color sel dark orange

> color sel goldenrod

> color sel dark orange

> select clear

> select #2/m:124

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select up

11 atoms, 10 bonds, 2 residues, 1 model selected  

> select up

1140 atoms, 1164 bonds, 147 residues, 1 model selected  

> color sel yellow

> select clear

> select #2/m:12

7 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

161 atoms, 167 bonds, 19 residues, 1 model selected  

> select up

1140 atoms, 1164 bonds, 147 residues, 1 model selected  

> ui tool show "Color Actions"

> color sel deep pink

> color sel blue violet

> color sel medium orchid

> color sel dark orchid

> color sel purple

> color sel dark orchid

> color sel medium orchid

> color sel orchid

> color sel hot pink

> color sel blue violet

> color sel dark violet

> color sel dark orchid

> color sel medium orchid

> color sel pale violet red

> color sel medium purple

> color sel medium orchid

> color sel blue violet

> color sel black

> color sel pale green

> color sel light green

> color sel dark sea green

> color sel pale turquoise

> color sel powder blue

> color sel sky blue

> color sel magenta

> color sel sky blue

> color sel light sky blue

> color sel powder blue

> color sel pale turquoise

> color sel light cyan

> color sel sky blue

> color sel light sky blue

> color sel pale turquoise

> color sel light sky blue

> select clear

> select #3/l:140

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

1083 atoms, 1099 bonds, 134 residues, 1 model selected  

> color sel yellow

> select clear

> select #3/l:143

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select up

1083 atoms, 1099 bonds, 134 residues, 1 model selected  

> ui tool show "Color Actions"

> color sel light yellow

> color sel white

> color sel white smoke

> color sel light pink

> color sel deep sky blue

> color sel navy

> color sel royal blue

> color sel deep sky blue

> color sel cyan

> color sel deep sky blue

> select clear

> select #2/m:11

5 atoms, 4 bonds, 1 residue, 1 model selected  

> select up

161 atoms, 167 bonds, 19 residues, 1 model selected  

> select up

1140 atoms, 1164 bonds, 147 residues, 1 model selected  

> color sel blue

> color sel medium blue

> color sel dark blue

> color sel navy

> color sel indigo

> color sel royal blue

> color sel medium violet red

> color sel gold

> color sel yellow

> select clear

> select #3/i:110

7 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

799 atoms, 807 bonds, 99 residues, 2 models selected  

> ui tool show "Color Actions"

> color sel olive

> color sel lime

> color sel green

> color sel chartreuse

> color sel lawn green

> color sel lime green

> color sel forest green

> select clear

> select #3/i:109

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

799 atoms, 807 bonds, 99 residues, 2 models selected  

> color (#!3 & sel) orange

> select clear

> select #2/m:13

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select up

161 atoms, 167 bonds, 19 residues, 1 model selected  

> select up

1140 atoms, 1164 bonds, 147 residues, 1 model selected  

> color sel lime

> select clear

> save C:\ProgramData\ChimeraX\image144.png supersample 3

> show #!5 models

> hide #!5 models

> show #!5 models

> select #5/l:144

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select up

1083 atoms, 1099 bonds, 134 residues, 1 model selected  

> ui tool show "Color Actions"

> color sel deep sky blue

> select clear

> hide #!3 models

> show #!3 models

> select #5/i:111

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select up

764 atoms, 773 bonds, 95 residues, 1 model selected  

> color sel orange

> select clear

> select #3/i:112

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

799 atoms, 807 bonds, 99 residues, 2 models selected  

> hide sel cartoons

> hide #!5 models

> show #!5 models

> select #3/l:140

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

1083 atoms, 1099 bonds, 134 residues, 1 model selected  

> select up

86939 atoms, 92348 bonds, 7918 residues, 1 model selected  

> select down

1083 atoms, 1099 bonds, 134 residues, 41 models selected  

> hide sel cartoons

> save C:\ProgramData\ChimeraX\image145.png supersample 3

> save "D:/PhD common folder/OneDrive - Indian Institute of
> Science/Jose_TH_43S_PIC/New_RSR_models/eIF2beta_eIF1A_eIF5placement.cxs"

——— End of log from Mon Aug 28 16:12:33 2023 ———

opened ChimeraX session  

> hide #!3 models

> show #!3 models

> select #5/i:29

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select up

764 atoms, 773 bonds, 95 residues, 1 model selected  

> ui tool show "Color Actions"

> color sel steel blue

> select #2/m:101

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select up

70 atoms, 70 bonds, 10 residues, 1 model selected  

> select up

1140 atoms, 1164 bonds, 147 residues, 1 model selected  

> color sel cyan

> select clear

> select #5/l:144

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select clear

> select #4/m:93

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

73 atoms, 73 bonds, 9 residues, 1 model selected  

> select up

716 atoms, 724 bonds, 90 residues, 1 model selected  

> color sel cyan

> select clear

> select #2/m:124

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select up

11 atoms, 10 bonds, 2 residues, 1 model selected  

> select up

1140 atoms, 1164 bonds, 147 residues, 1 model selected  

> color sel #000099ff

> color sel #009966ff

> select clear

> select #5/l:143

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select up

1083 atoms, 1099 bonds, 134 residues, 1 model selected  

> color sel red

> select clear

> hide #!3 models

> show #!3 models

> hide #!5 models

> show #!5 models

> hide #!3 models

> show #!3 models

> hide #!5 models

> show #!5 models

> close session

> open "D:/PhD common folder/OneDrive - Indian Institute of
> Science/Jose_TH_43S_PIC/New_RSR_models/beta_no1_cl3_rsr_real_space_refined.pdb"

Chain information for beta_no1_cl3_rsr_real_space_refined.pdb #1  
---  
Chain | Description  
1 | No description available  
2 | No description available  
3 | No description available  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
F | No description available  
G | No description available  
H | No description available  
I | No description available  
J | No description available  
K | No description available  
L | No description available  
M | No description available  
N | No description available  
O | No description available  
P | No description available  
Q | No description available  
R | No description available  
S | No description available  
T | No description available  
U | No description available  
V | No description available  
W | No description available  
X | No description available  
Y | No description available  
Z | No description available  
a | No description available  
b | No description available  
c | No description available  
d | No description available  
e | No description available  
f | No description available  
g | No description available  
h | No description available  
i | No description available  
j | No description available  
k | No description available  
l | No description available  
  

> open "D:/PhD common folder/OneDrive - Indian Institute of
> Science/Jose_TH_43S_PIC/New_RSR_models/beta_no1_cl2_rsr_real_space_refined
> 1.pdb"

Chain information for beta_no1_cl2_rsr_real_space_refined 1.pdb #2  
---  
Chain | Description  
1 | No description available  
2 | No description available  
3 | No description available  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
F | No description available  
G | No description available  
H | No description available  
I | No description available  
J | No description available  
K | No description available  
L | No description available  
M | No description available  
N | No description available  
O | No description available  
P | No description available  
Q | No description available  
R | No description available  
S | No description available  
T | No description available  
U | No description available  
V | No description available  
W | No description available  
X | No description available  
Y | No description available  
Z | No description available  
a | No description available  
b | No description available  
c | No description available  
d | No description available  
e | No description available  
f | No description available  
g | No description available  
h | No description available  
i | No description available  
j | No description available  
k | No description available  
l | No description available  
  

> show cartoons

> hide atoms

> set bgColor white

> graphics silhouettes true

> lighting soft

> lighting shadows true intensity 0.5

> select #1/A#2/A

3404 atoms, 3484 bonds, 438 residues, 2 models selected  

> color sel #000099ff

> color sel #ffffffff

> color sel #ffffa7ff

> select #1/B#2/B

3598 atoms, 3644 bonds, 4 pseudobonds, 450 residues, 4 models selected  

> select #1/C#2/C

3296 atoms, 3356 bonds, 440 residues, 2 models selected  

> select #1/E#2/E

4156 atoms, 4244 bonds, 520 residues, 2 models selected  

> select #1/F#2/F

3218 atoms, 3256 bonds, 412 residues, 2 models selected  

> select #1/G#2/G

3664 atoms, 3710 bonds, 460 residues, 2 models selected  

> select #1/H#2/H

2966 atoms, 3014 bonds, 368 residues, 2 models selected  

> select #1/I#2/I

2978 atoms, 3030 bonds, 2 pseudobonds, 376 residues, 4 models selected  

> select #1/J#2/J

2942 atoms, 2990 bonds, 364 residues, 2 models selected  

> select #1/L#2/L

2496 atoms, 2552 bonds, 310 residues, 2 models selected  

> select #1/N#2/N

2390 atoms, 2436 bonds, 302 residues, 2 models selected  

> select #1/O#2/O

1910 atoms, 1932 bonds, 258 residues, 2 models selected  

> select #1/H#2/H

2966 atoms, 3014 bonds, 368 residues, 2 models selected  

> select #1/I#2/I

2978 atoms, 3030 bonds, 2 pseudobonds, 376 residues, 4 models selected  

> select #1/J#2/J

2942 atoms, 2990 bonds, 364 residues, 2 models selected  

> select #1/L#2/L

2496 atoms, 2552 bonds, 310 residues, 2 models selected  

> select #1/N#2/N

2390 atoms, 2436 bonds, 302 residues, 2 models selected  

> select #1/O#2/O

1910 atoms, 1932 bonds, 258 residues, 2 models selected  

> select #1/V#2/V

1374 atoms, 1392 bonds, 174 residues, 2 models selected  

> select #1/W#2/W

2042 atoms, 2078 bonds, 258 residues, 2 models selected  

> select #1/X#2/X

2238 atoms, 2274 bonds, 288 residues, 2 models selected  

> select #1/Y#2/Y

2122 atoms, 2150 bonds, 268 residues, 2 models selected  

> select #1/a#2/a

1596 atoms, 1620 bonds, 206 residues, 2 models selected  

> select #1/b#2/b

1220 atoms, 1238 bonds, 164 residues, 2 models selected  

> select #1/e#2/e

944 atoms, 960 bonds, 120 residues, 2 models selected  

> select #1/h#2/h

466 atoms, 468 bonds, 50 residues, 2 models selected  

> ui tool show "Show Sequence Viewer"

> sequence chain #1/2 #2/2

Alignment identifier is 1  

> select #1/2:1 #2/2:1

40 atoms, 42 bonds, 2 residues, 2 models selected  

> select #1/2:1-1149 #2/2:1-1149

48940 atoms, 54742 bonds, 2298 residues, 2 models selected  
1 [ID: 1] region 2 chains [1-1149] RMSD: 0.852  
  

> ui tool show "Color Actions"

> color sel #ffffffff

> color sel #ffffa7ff

> select #1/2:1626-1627 #2/2:1626-1627

86 atoms, 94 bonds, 4 residues, 2 models selected  

> select #1/2:1626-1798 #2/2:1626-1798

7134 atoms, 7970 bonds, 346 residues, 2 models selected  
1 [ID: 1] region 2 chains [1626-1798] RMSD: 0.951  
  

> color sel #ffffffff

> color sel #ffffa7ff

> hide #!1 models

> show #!1 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> select #1/X:135

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

52 atoms, 53 bonds, 6 residues, 1 model selected  

> select up

1119 atoms, 1137 bonds, 144 residues, 1 model selected  

> color sel #ffffffff

> color sel #ffffa7ff

> show #!2 models

> hide #!1 models

> select #2/X:56

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select up

98 atoms, 98 bonds, 13 residues, 1 model selected  

> select up

1119 atoms, 1137 bonds, 144 residues, 1 model selected  

> color sel #ffffffff

> color sel #ffffa7ff

> select clear

> select #2/V:51

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select up

51 atoms, 52 bonds, 6 residues, 1 model selected  

> select up

687 atoms, 696 bonds, 87 residues, 1 model selected  

> select add #2/C:75

695 atoms, 703 bonds, 88 residues, 1 model selected  

> select up

748 atoms, 757 bonds, 94 residues, 1 model selected  

> select up

2335 atoms, 2374 bonds, 307 residues, 1 model selected  

> select add #2/J:128

2343 atoms, 2381 bonds, 308 residues, 1 model selected  

> select up

2400 atoms, 2440 bonds, 315 residues, 1 model selected  

> select up

3806 atoms, 3869 bonds, 489 residues, 1 model selected  

> select add #2/H:183

3817 atoms, 3880 bonds, 490 residues, 1 model selected  

> select up

3849 atoms, 3912 bonds, 494 residues, 1 model selected  

> select up

5289 atoms, 5376 bonds, 673 residues, 1 model selected  

> select add #2/Y:72

5300 atoms, 5387 bonds, 674 residues, 1 model selected  

> select up

5357 atoms, 5445 bonds, 682 residues, 1 model selected  

> select up

6350 atoms, 6451 bonds, 807 residues, 1 model selected  

> select add #2/G:207

6359 atoms, 6459 bonds, 808 residues, 1 model selected  

> select up

6741 atoms, 6843 bonds, 856 residues, 1 model selected  

> select up

8182 atoms, 8306 bonds, 1037 residues, 1 model selected  

> select add #2/I:92

8193 atoms, 8316 bonds, 1038 residues, 1 model selected  

> select up

8232 atoms, 8355 bonds, 1043 residues, 1 model selected  

> select up

9157 atoms, 9299 bonds, 1159 residues, 1 model selected  

> select up

9170 atoms, 9311 bonds, 1161 residues, 1 model selected  

> select add #2/I:197

9178 atoms, 9318 bonds, 1162 residues, 1 model selected  

> select up

9287 atoms, 9429 bonds, 1175 residues, 1 model selected  

> select up

9671 atoms, 9821 bonds, 1225 residues, 1 model selected  

> color sel #ffffffff

> color sel #ffffa7ff

> select clear

> select #2/h:22

5 atoms, 4 bonds, 1 residue, 1 model selected  

> select up

205 atoms, 206 bonds, 22 residues, 1 model selected  

> select add #2/N:119

214 atoms, 214 bonds, 23 residues, 1 model selected  

> select up

418 atoms, 422 bonds, 46 residues, 1 model selected  

> select up

1428 atoms, 1452 bonds, 176 residues, 1 model selected  

> select add #2/W:62

1435 atoms, 1458 bonds, 177 residues, 1 model selected  

> select up

1459 atoms, 1482 bonds, 180 residues, 1 model selected  

> select up

2449 atoms, 2491 bonds, 305 residues, 1 model selected  

> select add #2/L:105

2458 atoms, 2499 bonds, 306 residues, 1 model selected  

> select up

2557 atoms, 2602 bonds, 317 residues, 1 model selected  

> select up

3697 atoms, 3767 bonds, 460 residues, 1 model selected  

> color sel #ffffffff

> color sel #ffffa7ff

> select clear

> select #2/b:80

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select up

39 atoms, 39 bonds, 4 residues, 1 model selected  

> select up

609 atoms, 619 bonds, 81 residues, 1 model selected  

> color sel #ffffffff

> color sel #ffffa7ff

> select clear

> select #2/l:227

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select up

123 atoms, 123 bonds, 14 residues, 1 model selected  

> select up

346 atoms, 348 bonds, 41 residues, 1 model selected  

> select up

494 atoms, 496 bonds, 61 residues, 1 model selected  

> select up

893 atoms, 905 bonds, 111 residues, 1 model selected  

> select up

925 atoms, 937 bonds, 115 residues, 1 model selected  

> select up

1083 atoms, 1099 bonds, 134 residues, 1 model selected  

> color sel red

> select #2/k:264

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select up

116 atoms, 117 bonds, 14 residues, 1 model selected  

> select up

3596 atoms, 3657 bonds, 470 residues, 1 model selected  

> color sel orange

> select clear

> select #2/1:67

23 atoms, 25 bonds, 1 residue, 1 model selected  

> select up

1639 atoms, 1827 bonds, 75 residues, 1 model selected  

> select up

86939 atoms, 92347 bonds, 7918 residues, 1 model selected  

> select down

1639 atoms, 1827 bonds, 75 residues, 1 model selected  

> color sel cyan

> color sel forest green

> select #2/j:164

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

120 atoms, 120 bonds, 14 residues, 1 model selected  

> select up

1462 atoms, 1488 bonds, 177 residues, 1 model selected  

> ui tool show "Color Actions"

> color sel medium purple

> select #2/i:56

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select up

51 atoms, 51 bonds, 6 residues, 1 model selected  

> select up

764 atoms, 773 bonds, 95 residues, 1 model selected  

> color sel #5555ffff

> select clear

> select #2/3:30

20 atoms, 21 bonds, 1 residue, 1 model selected  

> select up

536 atoms, 595 bonds, 26 residues, 1 model selected  

> color sel #ff00ffff

> select clear

> show #!1 models

> hide #!2 models

> select #1/J:154

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select up

51 atoms, 51 bonds, 6 residues, 1 model selected  

> select up

1471 atoms, 1495 bonds, 182 residues, 1 model selected  

> select add #1/Y:46

1480 atoms, 1503 bonds, 183 residues, 1 model selected  

> select up

1561 atoms, 1584 bonds, 193 residues, 1 model selected  

> select up

2532 atoms, 2570 bonds, 316 residues, 1 model selected  

> select add #1/H:32

2539 atoms, 2577 bonds, 317 residues, 1 model selected  

> select up

2562 atoms, 2600 bonds, 320 residues, 1 model selected  

> select up

4015 atoms, 4077 bonds, 500 residues, 1 model selected  

> select add #1/N:32

4019 atoms, 4080 bonds, 501 residues, 1 model selected  

> select up

4127 atoms, 4189 bonds, 514 residues, 1 model selected  

> select up

5210 atoms, 5295 bonds, 651 residues, 1 model selected  

> select add #1/I:191

5215 atoms, 5299 bonds, 652 residues, 1 model selected  

> select up

5327 atoms, 5413 bonds, 665 residues, 1 model selected  

> select up

5724 atoms, 5817 bonds, 717 residues, 1 model selected  

> select up

5772 atoms, 5865 bonds, 724 residues, 1 model selected  

> select up

6699 atoms, 6810 bonds, 839 residues, 1 model selected  

> select add #1/G:191

6708 atoms, 6818 bonds, 840 residues, 1 model selected  

> select up

7090 atoms, 7202 bonds, 888 residues, 1 model selected  

> select up

8531 atoms, 8665 bonds, 1069 residues, 1 model selected  

> select subtract #1/Y:46

8522 atoms, 8655 bonds, 1068 residues, 1 model selected  

> select up

8531 atoms, 8665 bonds, 1069 residues, 1 model selected  

> select up

86904 atoms, 92313 bonds, 7914 residues, 1 model selected  

> select down

8531 atoms, 8665 bonds, 1069 residues, 1 model selected  

> color sel #ffff00ff

> color sel #ffffffff

> color sel #ffffa7ff

> select clear

> select #1/h:23

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select up

205 atoms, 206 bonds, 22 residues, 1 model selected  

> select add #1/L:76

212 atoms, 212 bonds, 23 residues, 1 model selected  

> select up

259 atoms, 259 bonds, 30 residues, 1 model selected  

> select up

1481 atoms, 1510 bonds, 180 residues, 1 model selected  

> select add #1/W:42

1490 atoms, 1518 bonds, 181 residues, 1 model selected  

> select up

1593 atoms, 1623 bonds, 193 residues, 1 model selected  

> select up

2502 atoms, 2549 bonds, 309 residues, 1 model selected  

> color sel #ffffffff

> color sel #ffffa7ff

> select clear

> select #1/b:44

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select up

40 atoms, 40 bonds, 5 residues, 1 model selected  

> select up

609 atoms, 619 bonds, 81 residues, 1 model selected  

> color sel #ffffffff

> color sel #ffffa7ff

> select clear

> select #1/V:73

5 atoms, 4 bonds, 1 residue, 1 model selected  

> select up

94 atoms, 93 bonds, 12 residues, 1 model selected  

> select up

687 atoms, 696 bonds, 87 residues, 1 model selected  

> select add #1/C:76

696 atoms, 704 bonds, 88 residues, 1 model selected  

> select up

748 atoms, 757 bonds, 94 residues, 1 model selected  

> select up

2335 atoms, 2374 bonds, 307 residues, 1 model selected  

> color sel #ffffffff

> color sel #ffffa7ff

> select clear

> select #1/M:66

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select up

76 atoms, 75 bonds, 11 residues, 1 model selected  

> select up

430 atoms, 430 bonds, 58 residues, 1 model selected  

> select up

497 atoms, 497 bonds, 67 residues, 1 model selected  

> select up

885 atoms, 891 bonds, 117 residues, 1 model selected  

> select add #1/U:45

890 atoms, 895 bonds, 118 residues, 1 model selected  

> select up

1008 atoms, 1013 bonds, 133 residues, 1 model selected  

> select up

1730 atoms, 1748 bonds, 223 residues, 1 model selected  

> select add #1/P:41

1737 atoms, 1754 bonds, 224 residues, 1 model selected  

> select up

1800 atoms, 1818 bonds, 231 residues, 1 model selected  

> select up

2653 atoms, 2690 bonds, 340 residues, 1 model selected  

> select add #1/F:217

2661 atoms, 2697 bonds, 341 residues, 1 model selected  

> select up

2777 atoms, 2814 bonds, 355 residues, 1 model selected  

> select up

4262 atoms, 4318 bonds, 546 residues, 1 model selected  

> select add #1/c:42

4273 atoms, 4328 bonds, 547 residues, 1 model selected  

> select up

4319 atoms, 4374 bonds, 553 residues, 1 model selected  

> select up

4761 atoms, 4819 bonds, 610 residues, 1 model selected  

> select up

86904 atoms, 92313 bonds, 7914 residues, 1 model selected  

> select down

4761 atoms, 4819 bonds, 610 residues, 1 model selected  

> select add #1/g:9

4768 atoms, 4825 bonds, 611 residues, 1 model selected  

> select up

4822 atoms, 4879 bonds, 618 residues, 1 model selected  

> select up

5999 atoms, 6081 bonds, 772 residues, 1 model selected  

> select up

6037 atoms, 6118 bonds, 777 residues, 1 model selected  

> select up

6178 atoms, 6262 bonds, 795 residues, 1 model selected  

> select up

6291 atoms, 6377 bonds, 809 residues, 1 model selected  

> select up

7230 atoms, 7342 bonds, 930 residues, 1 model selected  

> select up

86904 atoms, 92313 bonds, 7914 residues, 1 model selected  

> select down

7230 atoms, 7342 bonds, 930 residues, 1 model selected  

> select add #1/R:21

7242 atoms, 7354 bonds, 931 residues, 1 model selected  

> select up

7372 atoms, 7486 bonds, 947 residues, 1 model selected  

> select up

8263 atoms, 8386 bonds, 1060 residues, 1 model selected  

> select add #1/Q:104

8272 atoms, 8394 bonds, 1061 residues, 1 model selected  

> select up

8353 atoms, 8476 bonds, 1071 residues, 1 model selected  

> select up

9368 atoms, 9511 bonds, 1201 residues, 1 model selected  

> color sel #ffffffff

> color sel #ff88ddff

> color sel #f8d568ff

> select clear

> select #1/f:137

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select up

34 atoms, 35 bonds, 3 residues, 1 model selected  

> select up

584 atoms, 597 bonds, 74 residues, 1 model selected  

> select add #1/D:71

592 atoms, 604 bonds, 75 residues, 1 model selected  

> select up

731 atoms, 744 bonds, 91 residues, 1 model selected  

> select up

2358 atoms, 2397 bonds, 301 residues, 1 model selected  

> select add #1/T:106

2367 atoms, 2405 bonds, 302 residues, 1 model selected  

> select up

2464 atoms, 2502 bonds, 314 residues, 1 model selected  

> select up

3468 atoms, 3526 bonds, 444 residues, 1 model selected  

> select add #1/S:77

3475 atoms, 3532 bonds, 445 residues, 1 model selected  

> select up

3504 atoms, 3564 bonds, 448 residues, 1 model selected  

> select up

4657 atoms, 4734 bonds, 589 residues, 1 model selected  

> select up

4658 atoms, 4734 bonds, 590 residues, 1 model selected  

> select add #1/Z:102

4665 atoms, 4740 bonds, 591 residues, 1 model selected  

> select up

4696 atoms, 4772 bonds, 594 residues, 1 model selected  

> select up

5252 atoms, 5337 bonds, 668 residues, 1 model selected  

> color sel #ff88ddff

> color sel #f8d568ff

> select clear

> select #1/K:78

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select up

88 atoms, 89 bonds, 10 residues, 1 model selected  

> select up

809 atoms, 831 bonds, 96 residues, 1 model selected  

> lighting shadows false

> color sel #ff88ddff

> color sel #f8d568ff

> select clear

> ui tool show "Show Sequence Viewer"

> sequence chain #1/2 #2/2

Alignment identifier is 1  

> select #1/2:1150 #2/2:1150

44 atoms, 48 bonds, 2 residues, 2 models selected  

> select #1/2:1150-1625 #2/2:1150-1625

20306 atoms, 22695 bonds, 1 pseudobond, 952 residues, 3 models selected  
1 [ID: 1] region 2 chains [1150-1625] RMSD: 0.687  
  

> color (#!1 & sel) #ff88ddff

> color (#!1 & sel) #f8d568ff

> hide #!1 models

> show #!1 models

> show #!2 models

> hide #!1 models

> ui tool show "Show Sequence Viewer"

> sequence chain #1/2 #2/2

Alignment identifier is 1  

> select #1/2:1150 #2/2:1150

44 atoms, 48 bonds, 2 residues, 2 models selected  

> select #1/2:1150-1625 #2/2:1150-1625

20306 atoms, 22695 bonds, 1 pseudobond, 952 residues, 3 models selected  
1 [ID: 1] region 2 chains [1150-1625] RMSD: 0.687  
  

> color (#!2 & sel) #ff88ddff

> color (#!2 & sel) #f8d568ff

> select clear

> select #2/S:115

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select up

150 atoms, 149 bonds, 18 residues, 1 model selected  

> select up

1189 atoms, 1208 bonds, 145 residues, 1 model selected  

> select add #2/P:65

1197 atoms, 1215 bonds, 146 residues, 1 model selected  

> select up

1300 atoms, 1319 bonds, 160 residues, 1 model selected  

> select up

2112 atoms, 2150 bonds, 262 residues, 1 model selected  

> select add #2/M:66

2121 atoms, 2158 bonds, 263 residues, 1 model selected  

> select up

2188 atoms, 2225 bonds, 273 residues, 1 model selected  

> select up

2542 atoms, 2580 bonds, 320 residues, 1 model selected  

> select up

2609 atoms, 2647 bonds, 329 residues, 1 model selected  

> select up

2997 atoms, 3041 bonds, 379 residues, 1 model selected  

> select add #2/K:17

3006 atoms, 3049 bonds, 380 residues, 1 model selected  

> select up

3128 atoms, 3174 bonds, 393 residues, 1 model selected  

> select up

3806 atoms, 3872 bonds, 475 residues, 1 model selected  

> select up

86939 atoms, 92347 bonds, 7918 residues, 1 model selected  

> select down

3806 atoms, 3872 bonds, 475 residues, 1 model selected  

> select add #2/D:71

3814 atoms, 3879 bonds, 476 residues, 1 model selected  

> select up

3953 atoms, 4019 bonds, 492 residues, 1 model selected  

> select up

5580 atoms, 5672 bonds, 702 residues, 1 model selected  

> select add #2/T:110

5589 atoms, 5680 bonds, 703 residues, 1 model selected  

> select up

5690 atoms, 5781 bonds, 716 residues, 1 model selected  

> select up

6690 atoms, 6801 bonds, 845 residues, 1 model selected  

> select add #2/Z:51

6698 atoms, 6808 bonds, 846 residues, 1 model selected  

> select up

6780 atoms, 6891 bonds, 855 residues, 1 model selected  

> select up

7284 atoms, 7404 bonds, 923 residues, 1 model selected  

> select add #2/j:109

7294 atoms, 7414 bonds, 924 residues, 1 model selected  

> select up

7504 atoms, 7627 bonds, 949 residues, 1 model selected  

> select up

8746 atoms, 8892 bonds, 1100 residues, 1 model selected  

> color sel #ff88ddff

> color sel #f8d568ff

> select clear

> select #2/U:102

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select up

74 atoms, 74 bonds, 9 residues, 1 model selected  

> select up

845 atoms, 857 bonds, 106 residues, 1 model selected  

> select add #2/g:175

852 atoms, 863 bonds, 107 residues, 1 model selected  

> select up

889 atoms, 901 bonds, 112 residues, 1 model selected  

> select up

1024 atoms, 1038 bonds, 129 residues, 1 model selected  

> select up

1184 atoms, 1200 bonds, 150 residues, 1 model selected  

> select up

3314 atoms, 3380 bonds, 426 residues, 1 model selected  

> select up

86939 atoms, 92347 bonds, 7918 residues, 1 model selected  

> select down

3314 atoms, 3380 bonds, 426 residues, 1 model selected  

> select add #2/R:19

3323 atoms, 3388 bonds, 427 residues, 1 model selected  

> select up

3456 atoms, 3524 bonds, 443 residues, 1 model selected  

> select up

4347 atoms, 4424 bonds, 556 residues, 1 model selected  

> select add #2/Q:68

4356 atoms, 4432 bonds, 557 residues, 1 model selected  

> select up

4412 atoms, 4488 bonds, 564 residues, 1 model selected  

> select up

5452 atoms, 5549 bonds, 697 residues, 1 model selected  

> select add #2/F:137

5460 atoms, 5556 bonds, 698 residues, 1 model selected  

> select up

5540 atoms, 5637 bonds, 709 residues, 1 model selected  

> select up

7061 atoms, 7177 bonds, 903 residues, 1 model selected  

> color sel #ff88ddff

> color sel #f8d568ff

> select clear

> select #2/f:104

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

35 atoms, 35 bonds, 4 residues, 1 model selected  

> select up

584 atoms, 597 bonds, 74 residues, 1 model selected  

> color sel #ff88ddff

> color sel #f8d568ff

> select clear

> show #!1 models

> select #1/1#2/1

3278 atoms, 3654 bonds, 6 pseudobonds, 150 residues, 4 models selected  

> color (#!1-2 & sel) #ff88ddff

> color (#!1-2 & sel) #000066ff

> color (#!1-2 & sel) #006f46ff

> select #1/j#2/j

4290 atoms, 4354 bonds, 2 pseudobonds, 534 residues, 4 models selected  

> color (#!1-2 & sel) #000066ff

> color (#!1-2 & sel) #886666ff

> color (#!1-2 & sel) #8661a5ff

> select #1/i#2/i

1563 atoms, 1580 bonds, 1 pseudobond, 194 residues, 3 models selected  

> color (#!1-2 & sel) #886666ff

> color (#!1-2 & sel) #441144ff

> color (#!1-2 & sel) #4147c0ff

> select #1/3#2/3

1072 atoms, 1190 bonds, 52 residues, 2 models selected  

> color sel #441144ff

> color sel #dd7744ff

> color sel #d7459dff

> select #1/k#2/k

7274 atoms, 7396 bonds, 2 pseudobonds, 946 residues, 4 models selected  

> color (#!1-2 & sel) #dd7744ff

> color (#!1-2 & sel) #ff8899ff

> color (#!1-2 & sel) #f8973cff

> select clear

> select #1/l:231

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

123 atoms, 123 bonds, 14 residues, 1 model selected  

> select up

346 atoms, 348 bonds, 41 residues, 1 model selected  

> select up

494 atoms, 496 bonds, 61 residues, 1 model selected  

> select up

893 atoms, 905 bonds, 111 residues, 1 model selected  

> select up

925 atoms, 937 bonds, 115 residues, 1 model selected  

> select up

1083 atoms, 1099 bonds, 134 residues, 1 model selected  

> color sel red

> select clear

> hide #!1 models

> select #2/O:73

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select up

129 atoms, 130 bonds, 18 residues, 1 model selected  

> select up

955 atoms, 966 bonds, 129 residues, 1 model selected  

> select add #2/B:229

963 atoms, 973 bonds, 130 residues, 1 model selected  

> select up

1003 atoms, 1013 bonds, 136 residues, 1 model selected  

> select up

2690 atoms, 2726 bonds, 345 residues, 1 model selected  

> color sel #ff8899ff

> color sel #ffffffff

> color sel #ffffa7ff

> show #!1 models

> hide #!2 models

> select #1/O:73

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select up

129 atoms, 130 bonds, 18 residues, 1 model selected  

> select up

955 atoms, 966 bonds, 129 residues, 1 model selected  

> select add #1/B:229

963 atoms, 973 bonds, 130 residues, 1 model selected  

> select up

1003 atoms, 1013 bonds, 136 residues, 1 model selected  

> select up

2690 atoms, 2726 bonds, 345 residues, 1 model selected  

> select add #1/a:51

2701 atoms, 2736 bonds, 346 residues, 1 model selected  

> select up

2819 atoms, 2852 bonds, 363 residues, 1 model selected  

> select up

3551 atoms, 3598 bonds, 456 residues, 1 model selected  

> color sel #ffffffff

> color sel #ffffa7ff

> select clear

> ribbon style width 1 thickness 1

> cartoon style width 1 thickness 1

[Repeated 1 time(s)]

> undo

[Repeated 2 time(s)]

> select #1/1:10

24 atoms, 26 bonds, 1 residue, 1 model selected  

> select up

1639 atoms, 1827 bonds, 75 residues, 1 model selected  

> select add #1/j:171

1647 atoms, 1834 bonds, 76 residues, 1 model selected  

> select up

1759 atoms, 1947 bonds, 89 residues, 1 model selected  

> select up

3101 atoms, 3315 bonds, 252 residues, 1 model selected  

> select up

3106 atoms, 3319 bonds, 253 residues, 1 model selected  

> select up

3784 atoms, 4004 bonds, 342 residues, 1 model selected  

> select add #1/k:64

3793 atoms, 4012 bonds, 343 residues, 1 model selected  

> select up

3889 atoms, 4109 bonds, 353 residues, 1 model selected  

> select up

7380 atoms, 7661 bonds, 812 residues, 1 model selected  

> select up

7388 atoms, 7668 bonds, 813 residues, 1 model selected  

> select up

7421 atoms, 7702 bonds, 815 residues, 1 model selected  

> select up

86904 atoms, 92313 bonds, 7914 residues, 1 model selected  

> select down

7421 atoms, 7702 bonds, 815 residues, 1 model selected  

> select add #1/l:140

7429 atoms, 7709 bonds, 816 residues, 1 model selected  

> select up

7541 atoms, 7823 bonds, 829 residues, 1 model selected  

> select up

7611 atoms, 7896 bonds, 838 residues, 1 model selected  

> select up

7684 atoms, 7972 bonds, 847 residues, 1 model selected  

> select up

8014 atoms, 8308 bonds, 889 residues, 1 model selected  

> select up

8023 atoms, 8316 bonds, 890 residues, 1 model selected  

> select up

8360 atoms, 8656 bonds, 930 residues, 1 model selected  

> select up

8504 atoms, 8801 bonds, 949 residues, 1 model selected  

> select subtract #1/1:47

8484 atoms, 8778 bonds, 948 residues, 1 model selected  

> select up

8504 atoms, 8801 bonds, 949 residues, 1 model selected  

> surface sel

> select clear

> undo

> surface hidePatches (#!1 & sel)

> select ~sel & ##selected

78400 atoms, 83512 bonds, 6 pseudobonds, 6965 residues, 2 models selected  

> surface (#!1 & sel)

> select clear

> show #!2 models

> hide #!1 models

> select #2/l:227

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select up

123 atoms, 123 bonds, 14 residues, 1 model selected  

> select up

346 atoms, 348 bonds, 41 residues, 1 model selected  

> select up

494 atoms, 496 bonds, 61 residues, 1 model selected  

> select up

893 atoms, 905 bonds, 111 residues, 1 model selected  

> select up

925 atoms, 937 bonds, 115 residues, 1 model selected  

> select up

1083 atoms, 1099 bonds, 134 residues, 1 model selected  

> select add #2/k:260

1091 atoms, 1106 bonds, 135 residues, 1 model selected  

> select up

1199 atoms, 1216 bonds, 148 residues, 1 model selected  

> select up

4679 atoms, 4756 bonds, 604 residues, 1 model selected  

> select add #2/j:209

4688 atoms, 4764 bonds, 605 residues, 1 model selected  

> select up

4791 atoms, 4866 bonds, 619 residues, 1 model selected  

> select up

5370 atoms, 5452 bonds, 695 residues, 1 model selected  

> select up

5392 atoms, 5474 bonds, 698 residues, 1 model selected  

> select up

6832 atoms, 6940 bonds, 872 residues, 1 model selected  

> select add #2/1:66

6852 atoms, 6961 bonds, 873 residues, 1 model selected  

> select up

8471 atoms, 8767 bonds, 947 residues, 1 model selected  

> select up

8504 atoms, 8802 bonds, 949 residues, 1 model selected  

> select ~sel & ##selected

78435 atoms, 83545 bonds, 8 pseudobonds, 6969 residues, 2 models selected  

> surface (#!2 & sel)

> select clear

> show #!1 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> save "D:/PhD common folder/OneDrive - Indian Institute of
> Science/Jose_TH_43S_PIC/New_RSR_models/new_session_files/2beta_TC_conformations_new.cxs"

> lighting simple

> lighting soft

> lighting flat

> lighting shadows true intensity 0.5

> graphics silhouettes false

> lighting simple

> select #2/1:66

20 atoms, 21 bonds, 1 residue, 1 model selected  

> select up

1639 atoms, 1827 bonds, 75 residues, 1 model selected  

> cartoon style sel modeHelix tube sides 20

> undo

> nucleotides sel ladder

> cartoon hide sel

> style sel stick

Changed 1639 atom styles  

> nucleotides sel atoms

> cartoon sel

> select clear

> show #!1 models

> hide #!1 models

> ui tool show Matchmaker

> matchmaker #!2 to #1/2 pairing bs matrix Nucleic

Parameters  
---  
Chain pairing | bs  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | Nucleic  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker beta_no1_cl3_rsr_real_space_refined.pdb, chain 2 (#1) with
beta_no1_cl2_rsr_real_space_refined 1.pdb, chain 2 (#2), sequence alignment
score = 7175.2  
RMSD between 1752 pruned atom pairs is 0.739 angstroms; (across all 1798
pairs: 0.821)  
  

> show #!1 models

> matchmaker #!2 to #1/2 pairing bs matrix Nucleic

Parameters  
---  
Chain pairing | bs  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | Nucleic  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker beta_no1_cl3_rsr_real_space_refined.pdb, chain 2 (#1) with
beta_no1_cl2_rsr_real_space_refined 1.pdb, chain 2 (#2), sequence alignment
score = 7175.2  
RMSD between 1752 pruned atom pairs is 0.739 angstroms; (across all 1798
pairs: 0.821)  
  

> hide #!1 models

> show #!1 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> ui tool show "Side View"

> show #!2 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> lighting simple

> lighting soft

> show #!2 models

> hide #!1 models

> lighting simple

> lighting soft

> lighting full

> lighting simple

> lighting flat

> lighting simple

> lighting full

> lighting simple

> lighting shadows true

> graphics silhouettes false

> graphics silhouettes true

> lighting shadows false

> save C:\WINDOWS\system32\image1.png supersample 3

Permission denied writing file C:\WINDOWS\system32\image1.png  

> show #!1 models

> hide #!2 models

> save C:\WINDOWS\system32\image1.png supersample 3

Permission denied writing file C:\WINDOWS\system32\image1.png  

> save "D:/PhD common folder/OneDrive - Indian Institute of
> Science/Jose_TH_43S_PIC/Laura_figures/beta_conformation1.png" width 941
> height 580 supersample 3 transparentBackground true

> show #!2 models

> hide #!1 models

> save "D:/PhD common folder/OneDrive - Indian Institute of
> Science/Jose_TH_43S_PIC/Laura_figures/beta_conformation2.png" width 941
> height 580 supersample 3 transparentBackground true

> open "D:/PhD common folder/OneDrive - Indian Institute of
> Science/Jose_TH_43S_PIC/New_RSR_models/PIN_5_real_space_refined.pdb"

Chain information for PIN_5_real_space_refined.pdb #3  
---  
Chain | Description  
1 | No description available  
2 | No description available  
3 | No description available  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
F | No description available  
G | No description available  
H | No description available  
I | No description available  
J | No description available  
K | No description available  
L | No description available  
M | No description available  
N | No description available  
O | No description available  
P | No description available  
Q | No description available  
R | No description available  
S | No description available  
T | No description available  
U | No description available  
V | No description available  
W | No description available  
X | No description available  
Y | No description available  
Z | No description available  
a | No description available  
b | No description available  
c | No description available  
d | No description available  
e | No description available  
f | No description available  
g | No description available  
h | No description available  
i | No description available  
j | No description available  
k | No description available  
l | No description available  
m | No description available  
n | No description available  
o | No description available  
p | No description available  
q | No description available  
r | No description available  
  

> select add #3

104236 atoms, 109969 bonds, 31 pseudobonds, 10152 residues, 2 models selected  

> show sel cartoons

> hide sel atoms

> select #3/m:90

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

129 atoms, 131 bonds, 16 residues, 1 model selected  

> select up

1140 atoms, 1164 bonds, 147 residues, 1 model selected  

> select up

1141 atoms, 1164 bonds, 148 residues, 1 model selected  

> select up

104236 atoms, 109969 bonds, 10152 residues, 1 model selected  

> select down

1141 atoms, 1164 bonds, 148 residues, 1 model selected  

> ui tool show Matchmaker

> matchmaker #!3 to #2/2 pairing bs matrix Nucleic

Parameters  
---  
Chain pairing | bs  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | Nucleic  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker beta_no1_cl2_rsr_real_space_refined 1.pdb, chain 2 (#2) with
PIN_5_real_space_refined.pdb, chain 2 (#3), sequence alignment score = 7069.4  
RMSD between 1709 pruned atom pairs is 0.717 angstroms; (across all 1780
pairs: 1.252)  
  

> select clear

> select #3/l

1037 atoms, 1051 bonds, 3 pseudobonds, 129 residues, 2 models selected  

> select ~sel & ##selected

103199 atoms, 108918 bonds, 28 pseudobonds, 10023 residues, 2 models selected  

> hide sel cartoons

> select #3/l:182

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select up

82 atoms, 82 bonds, 10 residues, 1 model selected  

> select up

403 atoms, 412 bonds, 51 residues, 1 model selected  

> select up

414 atoms, 422 bonds, 52 residues, 1 model selected  

> select down

403 atoms, 412 bonds, 51 residues, 1 model selected  

> select clear

> select #3/l

1037 atoms, 1051 bonds, 3 pseudobonds, 129 residues, 2 models selected  

> color (#!3 & sel) #ffffffff

> color (#!3 & sel) #000099ff

> color (#!3 & sel) #009966ff

> select clear

> select #2/1:46

24 atoms, 26 bonds, 1 residue, 1 model selected  

> select up

1639 atoms, 1827 bonds, 75 residues, 1 model selected  

> select up

86939 atoms, 92347 bonds, 7918 residues, 1 model selected  

> select #2/1:7

23 atoms, 25 bonds, 1 residue, 1 model selected  

> select up

1639 atoms, 1827 bonds, 75 residues, 1 model selected  

> ui tool show "Color Actions"

> color sel lime green

> color sel green

> select clear

> open "D:/PhD common folder/OneDrive - Indian Institute of
> Science/Jose_TH_43S_PIC/New_RSR_models/6gsn.cif"

6gsn.cif title:  
Structure of a partial yeast 48S preinitiation complex in closed conformation
[more info...]  
  
Chain information for 6gsn.cif #4  
---  
Chain | Description | UniProt  
1 | tRNAi (75-MER) |  
2 | 18S rRNA (1798-MER) |  
3 | mRNA |  
A | 40S ribosomal protein S0 | RSSA_KLULA 2-220  
B | 40S ribosomal protein S1 | RS3A_KLULA 3-233  
C | KLLA0F09812p | Q6CKL3_KLULA 39-255  
D | KLLA0D08305p | Q6CRK7_KLULA 3-225  
E | 40S ribosomal protein S4 | Q6CWJ2_KLULA 2-261  
F | KLLA0D10659p | Q6CRA3_KLULA 22-227  
G | 40S ribosomal protein S6 | RS6_KLULA 1-226  
H | 40S ribosomal protein S7 | Q6CTD6_KLULA 4-187  
I | 40S ribosomal protein S8 | Q6CMG3_KLULA 2-201  
J | KLLA0E23673p | Q6CM18_KLULA 2-183  
K | KLLA0B08173p | Q6CVZ5_KLULA 1-96  
L | KLLA0A10483p | Q6CX80_KLULA 2-156  
M | 40S ribosomal protein S12 | Q6CLU4_KLULA 17-134  
N | KLLA0F18040p | Q6CJK0_KLULA 2-151  
O | 40S ribosomal protein S14 | RS14_KLULA 11-137  
P | KLLA0F07843p | Q6CKV4_KLULA 13-129  
Q | 40S ribosomal protein S16 | RS16_KLULA 3-143  
R | KLLA0B01474p | Q6CWU3_KLULA 2-131  
S | KLLA0B01562p | Q6CWT9_KLULA 2-146  
T | KLLA0A07194p | Q6CXM0_KLULA 2-144  
U | KLLA0F25542p | Q6CIM1_KLULA 15-120  
V | 40S ribosomal protein S21 | RS21_KLULA 1-87  
W | 40S ribosomal protein S22 | RS22_KLULA 2-130  
X | RPS23 | Q875M3_KLULC 2-145  
Y | 40S ribosomal protein S24 | Q6CU44_KLULA 2-135  
Z | KLLA0B06182p | Q6CW78_KLULA 36-105  
a | 40S ribosomal protein S26 | Q6CS01_KLULA 2-99  
b | 40S ribosomal protein S27 | Q6CNL2_KLULA 2-82  
c | 40S ribosomal protein S28 | RS28_KLULA 6-67  
d | 40S ribosomal protein S29 | RS29_KLULA 4-56  
e | 40S ribosomal protein S30 | Q6CUH5_KLULA 4-61  
f | Ubiquitin-40S ribosomal protein S27a | RS27A_KLULA 82-150  
g | KLLA0E12277p | Q6CNI7_KLULA 3-326  
h | 60S ribosomal protein L41-A | RL41A_YEAST 1-25  
i | Eukaryotic translation initiation factor 1A | IF1A_YEAST 5-115  
j | Eukaryotic translation initiation factor 2 subunit alpha | IF2A_YEAST
3-265  
k | Eukaryotic translation initiation factor 2 subunit gamma | IF2G_YEAST
90-519  
l | Eukaryotic translation initiation factor 2 subunit beta | IF2B_YEAST
127-270  
m | Eukaryotic translation initiation factor eIF-1 | SUI1_YEAST 19-108  
o | Eukaryotic translation initiation factor 3 subunit A,eIF3a | EIF3A_YEAST
5-492  
p | Eukaryotic translation initiation factor 3 subunit B | EIF3B_YEAST 72-737  
q | Eukaryotic translation initiation factor 3 subunit C | EIF3C_YEAST 96-794  
r | Eukaryotic translation initiation factor 3 subunit G | EIF3G_YEAS7 48-96  
s | Eukaryotic translation initiation factor 3 subunit I | EIF3I_YEAS7 1-342  
  
Non-standard residues in 6gsn.cif #4  
---  
GCP — phosphomethylphosphonic acid guanylate ester  
MET — methionine  
MG — magnesium ion  
ZN — zinc ion  
  

> show #!2-4 cartoons

> hide #!2-4 atoms

> select #4/p:727

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select up

212 atoms, 214 bonds, 24 residues, 1 model selected  

> select up

292 atoms, 298 bonds, 33 residues, 1 model selected  

> select add #4/p:227

298 atoms, 303 bonds, 34 residues, 1 model selected  

> select up

451 atoms, 456 bonds, 59 residues, 1 model selected  

> select up

5147 atoms, 5282 bonds, 658 residues, 1 model selected  

> select up

103798 atoms, 109571 bonds, 10079 residues, 1 model selected  

> select up

381877 atoms, 404200 bonds, 36063 residues, 4 models selected  

> select down

103798 atoms, 109571 bonds, 10079 residues, 79 models selected  

> select down

5147 atoms, 5282 bonds, 658 residues, 1 model selected  

> select down

451 atoms, 456 bonds, 59 residues, 1 model selected  

> select up

5147 atoms, 5282 bonds, 658 residues, 1 model selected  

> hide sel cartoons

> hide #!3 models

> show sel cartoons

> select clear

> select #4/p:649

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select up

41 atoms, 40 bonds, 5 residues, 1 model selected  

> select up

4682 atoms, 4811 bonds, 593 residues, 1 model selected  

> hide sel cartoons

> select #4/s:191

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select up

50 atoms, 50 bonds, 6 residues, 1 model selected  

> select up

2019 atoms, 2064 bonds, 258 residues, 1 model selected  

> hide sel cartoons

> hide #!2 models

> show #!2 models

> ui tool show Matchmaker

> matchmaker #!1 to #4/2 pairing bs matrix Nucleic

Parameters  
---  
Chain pairing | bs  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | Nucleic  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 6gsn.cif, chain 2 (#4) with
beta_no1_cl3_rsr_real_space_refined.pdb, chain 2 (#1), sequence alignment
score = 7141.6  
RMSD between 1623 pruned atom pairs is 0.978 angstroms; (across all 1798
pairs: 1.364)  
  

> hide #!2 models

> show #!1 models

> select #4/m:93

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

73 atoms, 73 bonds, 9 residues, 1 model selected  

> select up

716 atoms, 724 bonds, 90 residues, 1 model selected  

> select up

103798 atoms, 109571 bonds, 10079 residues, 1 model selected  

> select down

716 atoms, 724 bonds, 90 residues, 1 model selected  

> select ~sel & ##selected

103082 atoms, 108847 bonds, 1737 pseudobonds, 9989 residues, 4 models selected  

> color (#!4 & sel) cyan

> undo

> hide sel cartoons

> select #4/m:93

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

73 atoms, 73 bonds, 9 residues, 1 model selected  

> select up

716 atoms, 724 bonds, 90 residues, 1 model selected  

> color sel cyan

> select clear

> show #!3 models

> matchmaker #!4 to #1/2 pairing bs matrix Nucleic

Parameters  
---  
Chain pairing | bs  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | Nucleic  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker beta_no1_cl3_rsr_real_space_refined.pdb, chain 2 (#1) with
6gsn.cif, chain 2 (#4), sequence alignment score = 7141.6  
RMSD between 1623 pruned atom pairs is 0.978 angstroms; (across all 1798
pairs: 1.364)  
  

> matchmaker #!3 to #1/2 pairing bs matrix Nucleic

Parameters  
---  
Chain pairing | bs  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | Nucleic  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker beta_no1_cl3_rsr_real_space_refined.pdb, chain 2 (#1) with
PIN_5_real_space_refined.pdb, chain 2 (#3), sequence alignment score = 7069.4  
RMSD between 1689 pruned atom pairs is 0.699 angstroms; (across all 1780
pairs: 1.265)  
  

> matchmaker #!2 to #1/2 pairing bs matrix Nucleic

Parameters  
---  
Chain pairing | bs  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | Nucleic  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker beta_no1_cl3_rsr_real_space_refined.pdb, chain 2 (#1) with
beta_no1_cl2_rsr_real_space_refined 1.pdb, chain 2 (#2), sequence alignment
score = 7175.2  
RMSD between 1752 pruned atom pairs is 0.739 angstroms; (across all 1798
pairs: 0.821)  
  

> select #3/m:90

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

129 atoms, 131 bonds, 16 residues, 1 model selected  

> select up

1140 atoms, 1164 bonds, 147 residues, 1 model selected  

> select ~sel & ##selected

103096 atoms, 108805 bonds, 31 pseudobonds, 10005 residues, 2 models selected  

> hide sel cartoons

> select #3/m:90

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

129 atoms, 131 bonds, 16 residues, 1 model selected  

> select up

1140 atoms, 1164 bonds, 147 residues, 1 model selected  

> color sel #000099ff

> color sel #009966ff

> select clear

> select #3/m:90

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

129 atoms, 131 bonds, 16 residues, 1 model selected  

> select up

1140 atoms, 1164 bonds, 147 residues, 1 model selected  

> surface sel

> surface hidePatches (#!3 & sel)

> select add #4/m:93

1148 atoms, 1171 bonds, 148 residues, 3 models selected  

> select up

1213 atoms, 1237 bonds, 156 residues, 3 models selected  

> select up

1856 atoms, 1888 bonds, 237 residues, 3 models selected  

> surface (#!3-4 & sel)

> select clear

> select #1/k:515

5 atoms, 4 bonds, 1 residue, 1 model selected  

> select up

79 atoms, 82 bonds, 9 residues, 2 models selected  

> select up

3596 atoms, 3657 bonds, 470 residues, 2 models selected  

> select up

3604 atoms, 3664 bonds, 471 residues, 2 models selected  

> hide sel cartoons

> select #1/j:209

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select up

104 atoms, 103 bonds, 14 residues, 2 models selected  

> select up

683 atoms, 689 bonds, 90 residues, 2 models selected  

> select up

705 atoms, 711 bonds, 93 residues, 2 models selected  

> select up

2145 atoms, 2177 bonds, 267 residues, 2 models selected  

> hide sel cartoons

> select #1/i:110@CA

1 atom, 1 residue, 1 model selected  

> select up

7 atoms, 7 bonds, 1 residue, 2 models selected  

> select up

77 atoms, 77 bonds, 11 residues, 2 models selected  

> select up

764 atoms, 773 bonds, 95 residues, 2 models selected  

> surface hidePatches (#!1 & sel)

> select clear

> select #1/i:57

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select up

51 atoms, 51 bonds, 6 residues, 2 models selected  

> select up

764 atoms, 773 bonds, 95 residues, 2 models selected  

> surface (#!1 & sel)

> select clear

> save C:\WINDOWS\system32\image1.png supersample 3

Permission denied writing file C:\WINDOWS\system32\image1.png  

> cd C:/ProgramData/ChimeraX

Current working directory is: C:\ProgramData\ChimeraX  

> save C:\ProgramData\ChimeraX\image350.png supersample 3

> save "D:/PhD common folder/OneDrive - Indian Institute of
> Science/Jose_TH_43S_PIC/New_RSR_models/new_session_files/2beta_TC_conformations_new_cl3.cxs"

Traceback (most recent call last):  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core\session.py", line 899, in save  
session.save(output, version=version, include_maps=include_maps)  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core\session.py", line 630, in save  
fserialize(stream, data)  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core\serialize.py", line 65, in msgpack_serialize  
stream.write(packer.pack(obj))  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core\safesave.py", line 136, in write  
self._f.write(buf)  
File "C:\Program Files\ChimeraX\bin\Lib\site-packages\lz4\frame\\__init__.py",
line 740, in write  
compressed = self._compressor.compress(data)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Program Files\ChimeraX\bin\Lib\site-packages\lz4\frame\\__init__.py",
line 258, in compress  
result = compress_chunk(  
^^^^^^^^^^^^^^^  
MemoryError  
  
MemoryError  
  
File "C:\Program Files\ChimeraX\bin\Lib\site-packages\lz4\frame\\__init__.py",
line 258, in compress  
result = compress_chunk(  
^^^^^^^^^^^^^^^  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\save_command\dialog.py", line 116, in <lambda>  
lambda *args, ses=session: show_save_file_dialog(ses), tool_tip="Save output
file",  
^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\save_command\dialog.py", line 127, in show_save_file_dialog  
_dlg.display(session, **kw)  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\save_command\dialog.py", line 51, in display  
run(session, cmd)  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core\commands\run.py", line 38, in run  
results = command.run(text, log=log, return_json=return_json)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core\commands\cli.py", line 2897, in run  
result = ci.function(session, **kw_args)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\save_command\cmd.py", line 75, in cmd_save  
Command(session, registry=registry).run(provider_cmd_text, log=log)  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core\commands\cli.py", line 2897, in run  
result = ci.function(session, **kw_args)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\save_command\cmd.py", line 90, in provider_save  
saver_info.save(session, path, **provider_kw)  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core_formats\\__init__.py", line 84, in save  
return cxs_save(session, path, **kw)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core\session.py", line 899, in save  
session.save(output, version=version, include_maps=include_maps)  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core\session.py", line 630, in save  
fserialize(stream, data)  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core\serialize.py", line 65, in msgpack_serialize  
stream.write(packer.pack(obj))  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core\safesave.py", line 136, in write  
self._f.write(buf)  
File "C:\Program Files\ChimeraX\bin\Lib\site-packages\lz4\frame\\__init__.py",
line 740, in write  
compressed = self._compressor.compress(data)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Program Files\ChimeraX\bin\Lib\site-packages\lz4\frame\\__init__.py",
line 258, in compress  
result = compress_chunk(  
^^^^^^^^^^^^^^^  
MemoryError  
  
MemoryError  
  
File "C:\Program Files\ChimeraX\bin\Lib\site-packages\lz4\frame\\__init__.py",
line 258, in compress  
result = compress_chunk(  
^^^^^^^^^^^^^^^  
  
See log for complete Python traceback.  
  

> select #1/j

2145 atoms, 2177 bonds, 1 pseudobond, 267 residues, 2 models selected  

> show sel cartoons

> select clear

> ui tool show "Side View"

> save C:\ProgramData\ChimeraX\image351.png supersample 3

> save "D:/PhD common folder/OneDrive - Indian Institute of
> Science/Jose_TH_43S_PIC/New_RSR_models/new_session_files/2beta_TC_conformations_new_cl3.cxs"

Traceback (most recent call last):  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core\session.py", line 899, in save  
session.save(output, version=version, include_maps=include_maps)  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core\session.py", line 630, in save  
fserialize(stream, data)  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core\serialize.py", line 65, in msgpack_serialize  
stream.write(packer.pack(obj))  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core\safesave.py", line 136, in write  
self._f.write(buf)  
File "C:\Program Files\ChimeraX\bin\Lib\site-packages\lz4\frame\\__init__.py",
line 740, in write  
compressed = self._compressor.compress(data)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Program Files\ChimeraX\bin\Lib\site-packages\lz4\frame\\__init__.py",
line 258, in compress  
result = compress_chunk(  
^^^^^^^^^^^^^^^  
MemoryError  
  
MemoryError  
  
File "C:\Program Files\ChimeraX\bin\Lib\site-packages\lz4\frame\\__init__.py",
line 258, in compress  
result = compress_chunk(  
^^^^^^^^^^^^^^^  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\save_command\dialog.py", line 116, in <lambda>  
lambda *args, ses=session: show_save_file_dialog(ses), tool_tip="Save output
file",  
^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\save_command\dialog.py", line 127, in show_save_file_dialog  
_dlg.display(session, **kw)  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\save_command\dialog.py", line 51, in display  
run(session, cmd)  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core\commands\run.py", line 38, in run  
results = command.run(text, log=log, return_json=return_json)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core\commands\cli.py", line 2897, in run  
result = ci.function(session, **kw_args)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\save_command\cmd.py", line 75, in cmd_save  
Command(session, registry=registry).run(provider_cmd_text, log=log)  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core\commands\cli.py", line 2897, in run  
result = ci.function(session, **kw_args)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\save_command\cmd.py", line 90, in provider_save  
saver_info.save(session, path, **provider_kw)  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core_formats\\__init__.py", line 84, in save  
return cxs_save(session, path, **kw)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core\session.py", line 899, in save  
session.save(output, version=version, include_maps=include_maps)  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core\session.py", line 630, in save  
fserialize(stream, data)  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core\serialize.py", line 65, in msgpack_serialize  
stream.write(packer.pack(obj))  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core\safesave.py", line 136, in write  
self._f.write(buf)  
File "C:\Program Files\ChimeraX\bin\Lib\site-packages\lz4\frame\\__init__.py",
line 740, in write  
compressed = self._compressor.compress(data)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Program Files\ChimeraX\bin\Lib\site-packages\lz4\frame\\__init__.py",
line 258, in compress  
result = compress_chunk(  
^^^^^^^^^^^^^^^  
MemoryError  
  
MemoryError  
  
File "C:\Program Files\ChimeraX\bin\Lib\site-packages\lz4\frame\\__init__.py",
line 258, in compress  
result = compress_chunk(  
^^^^^^^^^^^^^^^  
  
See log for complete Python traceback.  
  




OpenGL version: 3.3.0 NVIDIA 457.49
OpenGL renderer: GeForce GTX 1650/PCIe/SSE2
OpenGL vendor: NVIDIA Corporation

Python: 3.11.2
Locale: en_IN.cp1252
Qt version: PyQt6 6.5.1, Qt 6.5.1
Qt runtime version: 6.5.1
Qt platform: windows

Manufacturer: LENOVO
Model: 82B5
OS: Microsoft Windows 11 Home Single Language (Build 22621)
Memory: 8,452,902,912
MaxProcessMemory: 137,438,953,344
CPU: 12 AMD Ryzen 5 4600H with Radeon Graphics         
OSLanguage: en-US

Installed Packages:
    alabaster: 0.7.13
    appdirs: 1.4.4
    asttokens: 2.2.1
    Babel: 2.12.1
    backcall: 0.2.0
    beautifulsoup4: 4.11.2
    blockdiag: 3.0.0
    blosc2: 2.0.0
    build: 0.10.0
    certifi: 2023.7.22
    cftime: 1.6.2
    charset-normalizer: 3.2.0
    ChimeraX-AddCharge: 1.5.11
    ChimeraX-AddH: 2.2.5
    ChimeraX-AlignmentAlgorithms: 2.0.1
    ChimeraX-AlignmentHdrs: 3.4
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 2.9.3
    ChimeraX-AlphaFold: 1.0
    ChimeraX-AltlocExplorer: 1.1.1
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.46.1
    ChimeraX-AtomicLibrary: 10.0.8
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.3.2
    ChimeraX-BasicActions: 1.1.2
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 2.1.2
    ChimeraX-BondRot: 2.0.4
    ChimeraX-BugReporter: 1.0.1
    ChimeraX-BuildStructure: 2.10.4
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.2.2
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.3.2
    ChimeraX-ChangeChains: 1.0.2
    ChimeraX-CheckWaters: 1.3.1
    ChimeraX-ChemGroup: 2.0.1
    ChimeraX-Clashes: 2.2.4
    ChimeraX-ColorActions: 1.0.3
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.3
    ChimeraX-CommandLine: 1.2.5
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.7.dev202307220101
    ChimeraX-CoreFormats: 1.1
    ChimeraX-coulombic: 1.4.2
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-DataFormats: 1.2.3
    ChimeraX-Dicom: 1.2
    ChimeraX-DistMonitor: 1.4
    ChimeraX-DockPrep: 1.1.2
    ChimeraX-Dssp: 2.0
    ChimeraX-EMDB-SFF: 1.0
    ChimeraX-ESMFold: 1.0
    ChimeraX-FileHistory: 1.0.1
    ChimeraX-FunctionKey: 1.0.1
    ChimeraX-Geometry: 1.3
    ChimeraX-gltf: 1.0
    ChimeraX-Graphics: 1.1.1
    ChimeraX-Hbonds: 2.4
    ChimeraX-Help: 1.2.1
    ChimeraX-HKCage: 1.3
    ChimeraX-IHM: 1.1
    ChimeraX-ImageFormats: 1.2
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0.1
    ChimeraX-ItemsInspection: 1.0.1
    ChimeraX-IUPAC: 1.0
    ChimeraX-Label: 1.1.7
    ChimeraX-ListInfo: 1.2
    ChimeraX-Log: 1.1.5
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.8.2
    ChimeraX-Map: 1.1.4
    ChimeraX-MapData: 2.0
    ChimeraX-MapEraser: 1.0.1
    ChimeraX-MapFilter: 2.0.1
    ChimeraX-MapFit: 2.0
    ChimeraX-MapSeries: 2.1.1
    ChimeraX-Markers: 1.0.1
    ChimeraX-Mask: 1.0.2
    ChimeraX-MatchMaker: 2.1.1
    ChimeraX-MCopy: 1.0
    ChimeraX-MDcrds: 2.6
    ChimeraX-MedicalToolbar: 1.0.2
    ChimeraX-Meeting: 1.0.1
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.12
    ChimeraX-MMTF: 2.2
    ChimeraX-Modeller: 1.5.9
    ChimeraX-ModelPanel: 1.4
    ChimeraX-ModelSeries: 1.0.1
    ChimeraX-Mol2: 2.0
    ChimeraX-Mole: 1.0
    ChimeraX-Morph: 1.0.2
    ChimeraX-MouseModes: 1.2
    ChimeraX-Movie: 1.0
    ChimeraX-Neuron: 1.0
    ChimeraX-Nifti: 1.1
    ChimeraX-NRRD: 1.1
    ChimeraX-Nucleotides: 2.0.3
    ChimeraX-OpenCommand: 1.10.2
    ChimeraX-PDB: 2.7.2
    ChimeraX-PDBBio: 1.0.1
    ChimeraX-PDBLibrary: 1.0.2
    ChimeraX-PDBMatrices: 1.0
    ChimeraX-PickBlobs: 1.0.1
    ChimeraX-Positions: 1.0
    ChimeraX-PresetMgr: 1.1
    ChimeraX-PubChem: 2.1
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1.1
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.1
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.2
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 3.0
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.1
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0.1
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0.1
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.9
    ChimeraX-Shape: 1.0.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.1.1
    ChimeraX-ShowSequences: 1.0.1
    ChimeraX-SideView: 1.0.1
    ChimeraX-Smiles: 2.1.2
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.12.1
    ChimeraX-STL: 1.0.1
    ChimeraX-Storm: 1.0
    ChimeraX-StructMeasure: 1.1.2
    ChimeraX-Struts: 1.0.1
    ChimeraX-Surface: 1.0.1
    ChimeraX-SwapAA: 2.0.1
    ChimeraX-SwapRes: 2.2.2
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.1.2
    ChimeraX-ToolshedUtils: 1.2.4
    ChimeraX-Topography: 1.0
    ChimeraX-ToQuest: 1.0
    ChimeraX-Tug: 1.0.1
    ChimeraX-UI: 1.31.1
    ChimeraX-uniprot: 2.3
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDockX: 1.2.2
    ChimeraX-VIPERdb: 1.0
    ChimeraX-Vive: 1.1
    ChimeraX-VolumeMenu: 1.0.1
    ChimeraX-VTK: 1.0
    ChimeraX-WavefrontOBJ: 1.0
    ChimeraX-WebCam: 1.0.2
    ChimeraX-WebServices: 1.1.1
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.6
    comm: 0.1.3
    comtypes: 1.1.14
    contourpy: 1.1.0
    cxservices: 1.2.2
    cycler: 0.11.0
    Cython: 0.29.33
    debugpy: 1.6.7
    decorator: 5.1.1
    docutils: 0.19
    executing: 1.2.0
    filelock: 3.9.0
    fonttools: 4.41.1
    funcparserlib: 1.0.1
    grako: 3.16.5
    h5py: 3.9.0
    html2text: 2020.1.16
    idna: 3.4
    ihm: 0.38
    imagecodecs: 2023.7.10
    imagesize: 1.4.1
    ipykernel: 6.23.2
    ipython: 8.14.0
    ipython-genutils: 0.2.0
    ipywidgets: 8.0.7
    jedi: 0.18.2
    Jinja2: 3.1.2
    jupyter-client: 8.2.0
    jupyter-core: 5.3.1
    jupyterlab-widgets: 3.0.8
    kiwisolver: 1.4.4
    line-profiler: 4.0.2
    lxml: 4.9.2
    lz4: 4.3.2
    MarkupSafe: 2.1.3
    matplotlib: 3.7.2
    matplotlib-inline: 0.1.6
    msgpack: 1.0.4
    nest-asyncio: 1.5.6
    netCDF4: 1.6.2
    networkx: 3.1
    nibabel: 5.0.1
    nptyping: 2.5.0
    numexpr: 2.8.4
    numpy: 1.25.1
    openvr: 1.23.701
    packaging: 23.1
    ParmEd: 3.4.3
    parso: 0.8.3
    pep517: 0.13.0
    pickleshare: 0.7.5
    Pillow: 10.0.0
    pip: 23.0
    pkginfo: 1.9.6
    platformdirs: 3.9.1
    prompt-toolkit: 3.0.39
    psutil: 5.9.5
    pure-eval: 0.2.2
    py-cpuinfo: 9.0.0
    pycollada: 0.7.2
    pydicom: 2.3.0
    Pygments: 2.14.0
    pynrrd: 1.0.0
    PyOpenGL: 3.1.7
    PyOpenGL-accelerate: 3.1.7
    pyparsing: 3.0.9
    pyproject-hooks: 1.0.0
    PyQt6-commercial: 6.5.1
    PyQt6-Qt6: 6.5.1
    PyQt6-sip: 13.5.1
    PyQt6-WebEngine-commercial: 6.5.0
    PyQt6-WebEngine-Qt6: 6.5.1
    python-dateutil: 2.8.2
    pytz: 2023.3
    pywin32: 305
    pyzmq: 25.1.0
    qtconsole: 5.4.3
    QtPy: 2.3.1
    RandomWords: 0.4.0
    requests: 2.31.0
    scipy: 1.11.1
    setuptools: 67.4.0
    sfftk-rw: 0.7.3
    six: 1.16.0
    snowballstemmer: 2.2.0
    sortedcontainers: 2.4.0
    soupsieve: 2.4.1
    sphinx: 6.1.3
    sphinx-autodoc-typehints: 1.22
    sphinxcontrib-applehelp: 1.0.4
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 1.0.2
    sphinxcontrib-htmlhelp: 2.0.1
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 1.0.3
    sphinxcontrib-serializinghtml: 1.1.5
    stack-data: 0.6.2
    tables: 3.8.0
    tcia-utils: 1.5.1
    tifffile: 2023.7.10
    tinyarray: 1.2.4
    tomli: 2.0.1
    tornado: 6.3.2
    traitlets: 5.9.0
    typing-extensions: 4.7.1
    tzdata: 2023.3
    urllib3: 2.0.4
    wcwidth: 0.2.6
    webcolors: 1.12
    wheel: 0.38.4
    wheel-filename: 1.4.1
    widgetsnbextension: 4.0.8
    WMI: 1.5.1

Change History (3)

comment:1 by Eric Pettersen, 23 months ago

Cc: Tom Goddard Eric Pettersen added
Component: UnassignedSessions
Owner: set to Greg Couch
Platform: all
Project: ChimeraX
Status: newassigned
Summary: ChimeraX bug report submissionMemoryError saving session

Reported by Prafful Sharma

comment:2 by Greg Couch, 23 months ago

Status: assignedfeedback

It's unclear where the memory has gone. Can you reproduce this easily? And if so how?

A temporary solution might be to restart ChimeraX occasionally. But depending on how much data you're working with, you might need to work on a computer with more memory.

comment:3 by Tom Goddard, 23 months ago

I think this is a bug in the Python lz4 compression module. We have seen it reported about 5 times. We are using the latest lz4 version 4.3.2 from December 2022. So I don't think there is any way for us to fix this.

For working with large atomic models and maps having only 8 Gbytes of memory is asking for these kinds of problems. I would recommend at least 16 Gbytes for working with large data.

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