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Opened 3 days ago
Closed 31 hours ago
#19279 closed defect (duplicate)
Vina output in ViewDock: KeyError: 'RMSD l.b.'
| Reported by: | Owned by: | Eric Pettersen | |
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | Surface/Binding Analysis | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description
The following bug report has been submitted:
Platform: Windows-10-10.0.26100
ChimeraX Version: 1.11.dev202509050043 (2025-09-05 00:43:43 UTC)
Description
Replace this text with list of actions that caused this problem to occur
Log:
UCSF ChimeraX version: 1.11.dev202509050043 (2025-09-05)
© 2016-2025 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open "C:\Users\EVELYN\Downloads\Final Output Capstone\ReceptorVeryCleanNBP
> IAA.pdbqt" format pdbqt
Summary of feedback from opening C:\Users\EVELYN\Downloads\Final Output
Capstone\ReceptorVeryCleanNBP IAA.pdbqt
---
warning | Ignored bad PDB record found on line 11761
ReceptorVeryCleanNBP IAA.pdb title:
Mechanism of auxin perception by the TIR1 ubiquitin ligase [more info...]
Chain information for ReceptorVeryCleanNBP IAA.pdb
---
Chain | Description
1.1/A | SKP1-like protein 1A
1.1/B | F-BOX/LRR-repeat protein 1
Opened ReceptorVeryCleanNBP IAA.pdbqt containing 2 structures (11036 atoms,
11148 bonds)
> hide #1.2 models
> hide #!1.1 models
> select add #1
11036 atoms, 11148 bonds, 2 pseudobonds, 694 residues, 5 models selected
> select subtract #1.1
15 atoms, 16 bonds, 1 residue, 2 models selected
> select subtract #1.2
1 model selected
> show #!1.1 models
> show #1.2 models
> select add #1.1
11021 atoms, 11132 bonds, 2 pseudobonds, 693 residues, 4 models selected
> select add #1.2
11036 atoms, 11148 bonds, 2 pseudobonds, 694 residues, 5 models selected
> select subtract #1.1
15 atoms, 16 bonds, 1 residue, 2 models selected
> hide #1.2 models
> close #1
> open "C:\Users\EVELYN\Downloads\Final Output Capstone\2P1Q.pdb" format pdb
2P1Q.pdb title:
Mechanism of auxin perception by the TIR1 ubiquitin ligase [more info...]
Chain information for 2P1Q.pdb #1
---
Chain | Description | UniProt
A | SKP1-like protein 1A | SKP1A_ARATH 1-160
B | F-BOX/LRR-repeat protein 1 | TIR1_ARATH 1-594
C | auxin-responsive protein IAA7 | IAA7_ARATH 1-13
Non-standard residues in 2P1Q.pdb #1
---
IAC — 1H-indol-3-ylacetic acid (indole acetic acid)
IHP — inositol hexakisphosphate (myo-inositol hexakisphosphate; inositol
1,2,3,4,5,6-hexakisphosphate)
> select :IAC
13 atoms, 14 bonds, 1 residue, 1 model selected
> select /C:1-13
114 atoms, 118 bonds, 13 residues, 1 model selected
> select /C:1-13
114 atoms, 118 bonds, 13 residues, 1 model selected
> select /C:1-13
114 atoms, 118 bonds, 13 residues, 1 model selected
Drag select of 3 atoms, 6 bonds
> select add /B:901@C3
118 atoms, 126 bonds, 15 residues, 1 model selected
Drag select of 4 residues
> undo
Drag select of 1 atoms, 4 residues, 1 bonds
> undo
> select :IAC
13 atoms, 14 bonds, 1 residue, 1 model selected
> select :IAC
13 atoms, 14 bonds, 1 residue, 1 model selected
> select clear
> select : IAC | chain
Expected a keyword
> select: IAC | Chain C
Unknown command: select: IAC | Chain C
> select: IAC | #1/C
Unknown command: select: IAC | #1/C
> select :IAC — 1H-indol-3-ylacetic acid | protein.sideonly & @C
Expected a keyword
> select :IAC | protein.sideonly & @C
Expected a keyword
> select :IAC
13 atoms, 14 bonds, 1 residue, 1 model selected
> select add /C:9
24 atoms, 24 bonds, 2 residues, 1 model selected
> select subtract /C:9
13 atoms, 14 bonds, 1 residue, 1 model selected
> select /C
131 atoms, 118 bonds, 30 residues, 1 model selected
Drag select of 3 atoms, 2 residues, 3 bonds
> undo
> select ::name="IAC"
13 atoms, 14 bonds, 1 residue, 1 model selected
> select /C
131 atoms, 118 bonds, 30 residues, 1 model selected
Drag select of 1 residues
> undo
> select ::name="IAC"
13 atoms, 14 bonds, 1 residue, 1 model selected
> select add /C:3
20 atoms, 20 bonds, 2 residues, 1 model selected
> select add /C:2
27 atoms, 26 bonds, 3 residues, 1 model selected
> select add /C:1
36 atoms, 34 bonds, 4 residues, 1 model selected
> select add /C:4
40 atoms, 37 bonds, 5 residues, 1 model selected
> select add /C:5
54 atoms, 52 bonds, 6 residues, 1 model selected
> select add /C:6
61 atoms, 59 bonds, 7 residues, 1 model selected
> select add /C:7
68 atoms, 66 bonds, 8 residues, 1 model selected
> select add /C:8
75 atoms, 72 bonds, 9 residues, 1 model selected
> select add /C:10
83 atoms, 79 bonds, 10 residues, 1 model selected
> select add /C:9
94 atoms, 89 bonds, 11 residues, 1 model selected
> select add /C:11
106 atoms, 101 bonds, 12 residues, 1 model selected
> select add /C:12
117 atoms, 111 bonds, 13 residues, 1 model selected
> select add /C:13
127 atoms, 120 bonds, 14 residues, 1 model selected
> ui tool show "Model Panel"
> select /B:9-576
4472 atoms, 4570 bonds, 568 residues, 1 model selected
> view sel
> select /B:9-576
4472 atoms, 4570 bonds, 568 residues, 1 model selected
> select /A:5-160
996 atoms, 1009 bonds, 2 pseudobonds, 124 residues, 2 models selected
> select /A:5-160
996 atoms, 1009 bonds, 2 pseudobonds, 124 residues, 2 models selected
> select clear
> open "C:/Users/EVELYN/Downloads/Final Output Capstone/Best
> pose_69867_I3CA.pdb"
> open "C:/Users/EVELYN/Downloads/Final Output Capstone/ReceptorVeryClean.pdb"
ReceptorVeryClean.pdb title:
Mechanism of auxin perception by the TIR1 ubiquitin ligase [more info...]
Chain information for ReceptorVeryClean.pdb #3
---
Chain | Description | UniProt
A | SKP1-like protein 1A | SKP1A_ARATH 1-160
B | F-BOX/LRR-repeat protein 1 | TIR1_ARATH 1-594
Non-standard residues in ReceptorVeryClean.pdb #3
---
IHP — inositol hexakisphosphate (myo-inositol hexakisphosphate; inositol
1,2,3,4,5,6-hexakisphosphate)
> hide #!3 models
> show #!3 models
> hide #2 models
> show #2 models
> hide #!3 models
> show #!3 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> select /C:1-13
114 atoms, 118 bonds, 13 residues, 1 model selected
> combine #2 #3
Computing secondary structure
> color #4 springgreen
> color #4 #aaff00ff
> color #4 #55aaffff
> color #4 #50a1f1ff
> color #4 #4b96e1ff
> color #4 #1d62e1ff
> color #4 #1a34e1ff
> color #4 #1a38e1ff
> hide #!3 models
> hide #2 models
> hide #!1 models
> select clear
> select ligand
149 atoms, 151 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@O35
148 atoms, 150 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@O25
147 atoms, 147 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@O45
146 atoms, 147 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@O24
145 atoms, 146 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@O44
144 atoms, 145 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@P4
143 atoms, 143 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@O14
142 atoms, 142 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@P3
141 atoms, 138 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@O34
140 atoms, 138 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@O33
139 atoms, 138 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@O13
138 atoms, 137 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@O15
137 atoms, 135 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@P5
136 atoms, 135 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@O46
135 atoms, 134 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@P6
134 atoms, 131 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@O36
133 atoms, 131 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@O23
132 atoms, 131 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@O43
131 atoms, 131 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@C4
130 atoms, 129 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@C5
129 atoms, 125 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@C3
128 atoms, 124 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@C2
127 atoms, 122 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@C6
126 atoms, 119 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@O16
125 atoms, 119 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@O26
124 atoms, 119 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@C1
123 atoms, 118 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@O12
122 atoms, 117 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@O42
121 atoms, 116 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@P2
120 atoms, 114 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@H32
119 atoms, 113 bonds, 5 residues, 3 models selected
> select add #4/B:801@P2
120 atoms, 113 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@P2
119 atoms, 113 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@O22
118 atoms, 113 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@O32
117 atoms, 114 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@O41
116 atoms, 108 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@O31
115 atoms, 108 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@P1
114 atoms, 108 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@O11
113 atoms, 108 bonds, 5 residues, 3 models selected
> select subtract #4/B:801@O21
112 atoms, 108 bonds, 5 residues, 3 models selected
> color (#!4 & sel) orange
> show #!1 models
> select /C:1-13
114 atoms, 118 bonds, 13 residues, 1 model selected
> color sel cyan
> matchmaker #4 to #1
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
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 2P1Q.pdb, chain B (#1) with combination, chain B (#4), sequence
alignment score = 3038.1
RMSD between 568 pruned atom pairs is 0.000 angstroms; (across all 568 pairs:
0.000)
> select clear
> rmsdAlign #1&ligand&ring #4&ligand&ring
rmsdAlign is provided by the uninstalled bundle SEQCROW versions 1.8.21 –
1.9.4
> ui tool show Distances
> hide #!4 models
> show #!3 models
> show #2 models
> select #2/N:0@@serial_number=7
1 atom, 1 residue, 1 model selected
> select #2/N:0@@serial_number=3
1 atom, 1 residue, 1 model selected
> select #2/N:0@@serial_number=8
1 atom, 1 residue, 1 model selected
> select #2/N:0@@serial_number=9
1 atom, 1 residue, 1 model selected
> undo
[Repeated 1 time(s)]
> select clear
> select #2/N:0@@serial_number=7
1 atom, 1 residue, 1 model selected
> select add #2/N:0@@serial_number=7
1 atom, 2 bonds, 1 residue, 1 model selected
> select add #2/N:0@@serial_number=8
2 atoms, 3 bonds, 1 residue, 1 model selected
> select add #2/N:0@@serial_number=6
3 atoms, 4 bonds, 1 residue, 1 model selected
> undo
> select add #2/N:0@@serial_number=5
4 atoms, 8 bonds, 1 residue, 1 model selected
> select add #2/N:0@N
5 atoms, 10 bonds, 1 residue, 1 model selected
> show sel target ab
> style sel ball
Changed 5 atom styles
> style sel ringFill thin
Changed 1 residue ring style
> style sel ringFill off
Changed 1 residue ring style
> show sel atoms
> style sel ball
Changed 5 atom styles
> select clear
> select ligand
149 atoms, 151 bonds, 5 residues, 3 models selected
> select clear
> select add #1/B:901@C4
1 atom, 1 residue, 1 model selected
> select add #1/B:901@C5
2 atoms, 3 bonds, 1 residue, 1 model selected
> select subtract #1/B:901@C4
1 atom, 2 bonds, 1 residue, 1 model selected
> select add #1/B:901@C4
2 atoms, 2 bonds, 1 residue, 1 model selected
> select add #1/B:901@N
3 atoms, 6 bonds, 1 residue, 1 model selected
> select add #1/B:901@C
4 atoms, 10 bonds, 1 residue, 1 model selected
> select subtract #1/B:901@C
3 atoms, 7 bonds, 1 residue, 1 model selected
> select add #1/B:901@C
4 atoms, 7 bonds, 1 residue, 1 model selected
> select add #1/B:901@C8
5 atoms, 10 bonds, 1 residue, 1 model selected
> select add #1/B:901@C3
6 atoms, 10 bonds, 1 residue, 1 model selected
> select add #1/B:901@C2
7 atoms, 10 bonds, 1 residue, 1 model selected
> select add #1/B:901@C7
8 atoms, 10 bonds, 1 residue, 1 model selected
> show sel target ab
> style sel ball
Changed 8 atom styles
> select clear
> select #1/B:901@C4
1 atom, 1 residue, 1 model selected
> select #2/N:0@@serial_number=6
1 atom, 1 residue, 1 model selected
> select add #1/B:901@C4
2 atoms, 2 residues, 2 models selected
> ui tool show Distances
> distance #2/N:0@@serial_number=6 #1/B:901@C4
Distance between Best pose_69867_I3CA.pdb #2/N UNK 0 C and 2P1Q.pdb #1/B IAC
901 C4: 3.199Å
> hide #!1 models
> show #!1 models
> hide #!1 models
> hide #!5 models
> hide #5.1 models
> show #!1 models
> ui tool show "Crystal Contacts"
> crystalcontacts #1
8 pairs of asymmetric units of 2P1Q.pdb contact at distance 3.0 A
Atoms MTRIX SMTRY Unit cell MTRIXref Copies
16 0 1 0 0 0 0 1
14 0 0 0 1 0 0 1
12 0 1 0 0 -1 0 1
12 0 0 0 -1 0 0 1
9 0 2 0 -1 0 0 1
8 0 2 -1 0 0 0 1
1 0 3 0 0 0 0 1
1 0 3 0 -1 0 0 1
> hide #!6 models
> hide #!1 models
> select add #2
15 atoms, 15 bonds, 2 residues, 2 models selected
> select subtract #2
1 atom, 1 residue, 1 model selected
> select add #3
11022 atoms, 11132 bonds, 2 pseudobonds, 694 residues, 4 models selected
> show #!1 models
> show #!4 models
> show #!1 target m
[Repeated 1 time(s)]
> hide #!1 models
> show #!1 models
> hide #2 models
> show #2 models
> select add #2
11036 atoms, 11147 bonds, 2 pseudobonds, 695 residues, 5 models selected
> select add #1
17436 atoms, 16894 bonds, 4 pseudobonds, 2171 residues, 7 models selected
> select add #4
28471 atoms, 28041 bonds, 6 pseudobonds, 2865 residues, 9 models selected
> select subtract #4
17436 atoms, 16894 bonds, 4 pseudobonds, 2171 residues, 7 models selected
> select subtract #2
17422 atoms, 16879 bonds, 4 pseudobonds, 2170 residues, 6 models selected
> select subtract #1
11021 atoms, 11132 bonds, 2 pseudobonds, 693 residues, 3 models selected
> select subtract #3
Nothing selected
> hide #!1 models
> hide #2 models
> hide #!3 models
> hide #!4 models
> undo
> show #!1 models
> show #2 models
> show #!3 models
> view #1 clip false
> hide #!4 models
> ui tool show Clashes
> hide #!1 models
> hide #2 models
> hide #!3 models
> show #!4 models
> ui tool show Clashes
[Repeated 1 time(s)]
> clashes ignoreHiddenModels true continuous true
6 clashes
> ~clashes
> select ligand 4
Expected a keyword
> select #4&ligand
57 atoms, 58 bonds, 2 residues, 1 model selected
> select #4/A:115
12 atoms, 11 bonds, 1 residue, 1 model selected
> select #4/A:115
12 atoms, 11 bonds, 1 residue, 1 model selected
> select clear
> select add #4/N:0@@serial_number=8
1 atom, 1 bond, 1 residue, 1 model selected
> select add #4/N:0@@serial_number=9
2 atoms, 3 bonds, 1 residue, 1 model selected
> select add #4/N:0@@serial_number=6
3 atoms, 5 bonds, 1 residue, 1 model selected
> select add #4/N:0@@serial_number=2
4 atoms, 6 bonds, 1 residue, 1 model selected
> select add #4/N:0@@serial_number=11
5 atoms, 7 bonds, 1 residue, 1 model selected
> select add #4/N:0@@serial_number=12
6 atoms, 8 bonds, 1 residue, 1 model selected
> select add #4/N:0@@serial_number=13
7 atoms, 11 bonds, 1 residue, 1 model selected
> select add #4/N:0@@serial_number=14
8 atoms, 11 bonds, 1 residue, 1 model selected
> select add #4/N:0@@serial_number=5
9 atoms, 13 bonds, 1 residue, 1 model selected
> select add #4/N:0@@serial_number=10
10 atoms, 13 bonds, 1 residue, 1 model selected
> select add #4/N:0@N
11 atoms, 14 bonds, 1 residue, 1 model selected
> select add #4/N:0@@serial_number=7
12 atoms, 14 bonds, 1 residue, 1 model selected
> ui tool show Clashes
Restriction atom specifier must not be blank
> clashes sel restrict #4&protein ignoreHiddenModels true
No clashes
> hbonds #4&ligand #4&protein
Expected a keyword
> select clear
> undo
> ui tool show H-Bonds
> hbonds sel dashes 7 showDist true restrict #4&protein reveal true log true
Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
4 combination
2 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
combination #4/B SER 438 OG combination #4/N UNK 0 O combination #4/B SER 438 HG 3.078 2.176
combination #4/N UNK 0 O combination #4/B LEU 439 O combination #4/N UNK 0 H 2.921 2.001
2 hydrogen bonds found
> hide #!4 models
> show #2 models
> show #!3 models
[Repeated 1 time(s)]
> hbonds #2&ligand #3:438,439@B
Expected a keyword
> hide #2 models
> hide #!3 models
> show #!4 models
> ui tool show H-Bonds
> view sel
> set bgColor white
> color #4 #e125c2ff
> undo
[Repeated 1 time(s)]
> select ligand
541 atoms, 551 bonds, 21 residues, 11 models selected
> color (#!4 & sel) yellow
> set bgColor black
> set bgColor white
> save "C:/Users/EVELYN/Downloads/Final Output Capstone/I3CA hbonds.png" width
> 2500 height 1800 supersample 4
> set bgColor black
> show #!3 models
> hide #!4 models
> show #2 models
> view sel
> select clear
> hbonds #2 #3
4382 hydrogen bonds found
> hide #7 models
> hbonds #2 #3@B
6 hydrogen bonds found
> show #7 models
> hide #7 models
> select add #2/N:0@@serial_number=9
1 atom, 2 bonds, 1 residue, 1 model selected
> select add #2/N:0@@serial_number=7
2 atoms, 2 bonds, 1 residue, 1 model selected
> select add #2/N:0@N
3 atoms, 4 bonds, 1 residue, 1 model selected
> select add #2/N:0@@serial_number=10
4 atoms, 5 bonds, 1 residue, 1 model selected
> select add #2/N:0@@serial_number=8
5 atoms, 6 bonds, 1 residue, 1 model selected
> select add #2/N:0@@serial_number=6
6 atoms, 7 bonds, 1 residue, 1 model selected
> select add #2/N:0@@serial_number=5
7 atoms, 10 bonds, 1 residue, 1 model selected
> select add #2/N:0@@serial_number=12
8 atoms, 13 bonds, 1 residue, 1 model selected
> select add #2/N:0@@serial_number=13
9 atoms, 14 bonds, 1 residue, 1 model selected
> select add #2/N:0@@serial_number=14
10 atoms, 14 bonds, 1 residue, 1 model selected
> ui tool show H-Bonds
> hbonds sel color #ffff7f dashes 7 showDist true restrict #3@B reveal true
> log true
'restrict' atom specifier selects no atoms
> ui tool show H-Bonds
> select clear
> select #2
14 atoms, 15 bonds, 1 residue, 1 model selected
> ui tool show H-Bonds
> hbonds sel color #ffff7f dashes 7 showDist true restrict #3@B reveal true
> log true
'restrict' atom specifier selects no atoms
> select #3/B:9-576
8985 atoms, 9083 bonds, 568 residues, 1 model selected
> select :IHP
410 atoms, 410 bonds, 11 residues, 11 models selected
> select #3/B:9-576
8985 atoms, 9083 bonds, 568 residues, 1 model selected
> ui tool show H-Bonds
> hbonds sel color #ffff7f dashes 7 showDist true restrict #2 reveal true log
> true
Finding intermodel H-bonds
Finding intramodel H-bonds
Constraints relaxed by 0.4 angstroms and 20 degrees
Models used:
3 ReceptorVeryClean.pdb
2 Best pose_69867_I3CA.pdb
2 H-bonds
H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
Best pose_69867_I3CA.pdb #2/N UNK 0 O ReceptorVeryClean.pdb #3/B LEU 439 O Best pose_69867_I3CA.pdb #2/N UNK 0 H 2.921 2.001
ReceptorVeryClean.pdb #3/B SER 438 OG Best pose_69867_I3CA.pdb #2/N UNK 0 O ReceptorVeryClean.pdb #3/B SER 438 HG 3.078 2.176
2 hydrogen bonds found
> select clear
> ui tool show "Show Sequence Viewer"
[Repeated 1 time(s)]
> hide #2 models
> ui tool show "Show Sequence Viewer"
> show #2 models
> ui tool show H-Bonds
> select #2
14 atoms, 15 bonds, 1 residue, 1 model selected
> ui tool show H-Bonds
> ui tool show "Show Sequence Viewer"
> select clear
> hbonds #2 #3@B
6 hydrogen bonds found
> show #7 models
> select add #7
6 pseudobonds, 1 model selected
> show #!4 models
> hide #2 models
> hide #!3 models
> hide #7 models
> select subtract #7
Nothing selected
> show #5.1 models
> show #7 models
> hide #5.1 models
> hide #!5 models
> hide #!4 models
> show #!3 models
> show #2 models
QDxgiVSyncService: DXGI Factory is no longer Current
[Repeated 1 time(s)]
> select ::name="ARG"
6078 atoms, 5664 bonds, 458 residues, 11 models selected
> color (#!3 & sel) lime
> show #!1 models
> hide #!1 models
> show #!1 models
> select clear
> hide #2 models
> hide #!3 models
> select #1/B:901@C5
1 atom, 1 residue, 1 model selected
> select #1/B:901@C
1 atom, 1 residue, 1 model selected
> select add #1/B:901@C5
1 atom, 1 bond, 1 residue, 1 model selected
> select add #1/B:901@C
2 atoms, 1 bond, 1 residue, 1 model selected
> select add #1/B:901@N
3 atoms, 1 bond, 1 residue, 1 model selected
> select add #1/B:901@C8
4 atoms, 3 bonds, 1 residue, 1 model selected
> select add #1/B:901@C7
5 atoms, 4 bonds, 1 residue, 1 model selected
Drag select of 1 atoms, 1 bonds
> select add #1/B:901@C4
7 atoms, 11 bonds, 1 residue, 1 model selected
> select add #1/B:901@C3
8 atoms, 12 bonds, 1 residue, 1 model selected
> select add #1/B:901@C2
9 atoms, 13 bonds, 1 residue, 1 model selected
> select add #1/B:901@O2
10 atoms, 13 bonds, 1 residue, 1 model selected
> select add #1/B:901@O3
11 atoms, 13 bonds, 1 residue, 1 model selected
QDxgiVSyncService: DXGI Factory is no longer Current
[Repeated 1 time(s)]
> color sel byelement
> show #2 models
> open "C:/Users/EVELYN/Downloads/Final Output Capstone/Best pose_802_Native
> IAA.pdb"
> show #!3 models
> hide #!1 models
> hide #!3 models
> show #!1 models
> show #!3 models
> hide #!1 models
> view sel
> hide #2 models
> view sel
[Repeated 2 time(s)]
> select clear
> view clip false
> close session
> open "C:\Users\EVELYN\Downloads\Final Output Capstone\ReceptorVeryClean.pdb"
> format pdb
ReceptorVeryClean.pdb title:
Mechanism of auxin perception by the TIR1 ubiquitin ligase [more info...]
Chain information for ReceptorVeryClean.pdb #1
---
Chain | Description | UniProt
A | SKP1-like protein 1A | SKP1A_ARATH 1-160
B | F-BOX/LRR-repeat protein 1 | TIR1_ARATH 1-594
Non-standard residues in ReceptorVeryClean.pdb #1
---
IHP — inositol hexakisphosphate (myo-inositol hexakisphosphate; inositol
1,2,3,4,5,6-hexakisphosphate)
> save "C:/Users/EVELYN/Downloads/Final Output Capstone/verycleanreceptor-
> noCnoIAA.mol2"
> open C:/Users/EVELYN/Downloads/verycleanreceptor.pdbqt
Summary of feedback from opening
C:/Users/EVELYN/Downloads/verycleanreceptor.pdbqt
---
warnings | Ignored bad PDB record found on line 1
REMARK Name = ReceptorVeryClean.pdb
Ignored bad PDB record found on line 2
REMARK 3211 active torsions:
Ignored bad PDB record found on line 3
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 4
REMARK 1 A between atoms: N_1 and CA_2
Ignored bad PDB record found on line 5
REMARK 2 A between atoms: CA_2 and C_3
6661 messages similar to the above omitted
Duplicate atom serial number found: 116
Ignored bad PDB record found on line 6934
ENDROOT
Ignored bad PDB record found on line 6935
BRANCH 116 117
Duplicate atom serial number found: 117
Duplicate atom serial number found: 118
Duplicate atom serial number found: 124
Duplicate atom serial number found: 129
Ignored bad PDB record found on line 6940
BRANCH 124 125
Duplicate atom serial number found: 125
Duplicate atom serial number found: 128
Ignored bad PDB record found on line 6943
BRANCH 125 126
Duplicate atom serial number found: 126
Duplicate atom serial number found: 127
Duplicate atom serial number found: 130
Duplicate atom serial number found: 139
Ignored bad PDB record found on line 6948
BRANCH 130 131
Duplicate atom serial number found: 131
Ignored bad PDB record found on line 6950
BRANCH 131 132
Duplicate atom serial number found: 132
Duplicate atom serial number found: 133
Duplicate atom serial number found: 143
Duplicate atom serial number found: 150
Ignored bad PDB record found on line 6955
BRANCH 143 144
Duplicate atom serial number found: 144
Ignored bad PDB record found on line 6957
BRANCH 144 145
Duplicate atom serial number found: 145
Duplicate atom serial number found: 146
Duplicate atom serial number found: 151
Duplicate atom serial number found: 159
Ignored bad PDB record found on line 6962
BRANCH 151 152
Duplicate atom serial number found: 152
Ignored bad PDB record found on line 6964
BRANCH 152 153
Duplicate atom serial number found: 153
Duplicate atom serial number found: 154
Duplicate atom serial number found: 160
Duplicate atom serial number found: 169
Ignored bad PDB record found on line 6969
BRANCH 160 161
Duplicate atom serial number found: 161
Ignored bad PDB record found on line 6971
BRANCH 161 162
Duplicate atom serial number found: 162
Duplicate atom serial number found: 163
Duplicate atom serial number found: 170
Duplicate atom serial number found: 182
Ignored bad PDB record found on line 6976
BRANCH 170 171
Duplicate atom serial number found: 171
Ignored bad PDB record found on line 6978
BRANCH 171 172
Duplicate atom serial number found: 172
Duplicate atom serial number found: 173
Duplicate atom serial number found: 184
Duplicate atom serial number found: 190
Ignored bad PDB record found on line 6983
BRANCH 184 185
Duplicate atom serial number found: 185
Ignored bad PDB record found on line 6985
BRANCH 185 186
Duplicate atom serial number found: 186
Duplicate atom serial number found: 187
Duplicate atom serial number found: 192
Duplicate atom serial number found: 201
Ignored bad PDB record found on line 6990
BRANCH 192 193
Duplicate atom serial number found: 193
Ignored bad PDB record found on line 6992
BRANCH 193 194
Duplicate atom serial number found: 194
Duplicate atom serial number found: 195
Duplicate atom serial number found: 205
Duplicate atom serial number found: 216
Ignored bad PDB record found on line 6997
BRANCH 205 206
Duplicate atom serial number found: 206
Ignored bad PDB record found on line 6999
BRANCH 206 207
Duplicate atom serial number found: 207
Duplicate atom serial number found: 208
Duplicate atom serial number found: 222
Duplicate atom serial number found: 233
Ignored bad PDB record found on line 7004
BRANCH 222 223
Duplicate atom serial number found: 223
Ignored bad PDB record found on line 7006
BRANCH 223 224
Duplicate atom serial number found: 224
Duplicate atom serial number found: 225
Ignored bad PDB record found on line 7009
ENDBRANCH 223 224
Ignored bad PDB record found on line 7010
BRANCH 223 226
Duplicate atom serial number found: 226
Ignored bad PDB record found on line 7012
BRANCH 226 227
Duplicate atom serial number found: 227
Duplicate atom serial number found: 228
Duplicate atom serial number found: 229
Duplicate atom serial number found: 230
Duplicate atom serial number found: 231
1 messages similar to the above omitted
Ignored bad PDB record found on line 7019
ENDBRANCH 226 227
Ignored bad PDB record found on line 7020
ENDBRANCH 223 226
Ignored bad PDB record found on line 7021
ENDBRANCH 222 223
Ignored bad PDB record found on line 7022
ENDBRANCH 206 207
Ignored bad PDB record found on line 7023
BRANCH 206 209
Duplicate atom serial number found: 209
Ignored bad PDB record found on line 7025
BRANCH 209 210
Duplicate atom serial number found: 210
Ignored bad PDB record found on line 7027
BRANCH 210 211
Duplicate atom serial number found: 211
Ignored bad PDB record found on line 7029
BRANCH 211 212
Duplicate atom serial number found: 212
Duplicate atom serial number found: 213
Duplicate atom serial number found: 214
Duplicate atom serial number found: 215
Duplicate atom serial number found: 217
4 messages similar to the above omitted
Ignored bad PDB record found on line 7039
ENDBRANCH 211 212
Ignored bad PDB record found on line 7040
ENDBRANCH 210 211
Ignored bad PDB record found on line 7041
ENDBRANCH 209 210
Ignored bad PDB record found on line 7042
ENDBRANCH 206 209
Ignored bad PDB record found on line 7043
ENDBRANCH 205 206
2 messages similar to the above omitted
Duplicate atom serial number found: 196
Ignored bad PDB record found on line 7047
BRANCH 196 197
Duplicate atom serial number found: 197
Ignored bad PDB record found on line 7049
BRANCH 197 198
Duplicate atom serial number found: 198
Ignored bad PDB record found on line 7051
BRANCH 198 199
Duplicate atom serial number found: 199
Ignored bad PDB record found on line 7053
BRANCH 199 200
Duplicate atom serial number found: 200
Duplicate atom serial number found: 202
Duplicate atom serial number found: 203
Duplicate atom serial number found: 204
Ignored bad PDB record found on line 7058
ENDBRANCH 199 200
Ignored bad PDB record found on line 7059
ENDBRANCH 198 199
Ignored bad PDB record found on line 7060
ENDBRANCH 197 198
Ignored bad PDB record found on line 7061
ENDBRANCH 196 197
Ignored bad PDB record found on line 7062
ENDBRANCH 193 196
3 messages similar to the above omitted
Duplicate atom serial number found: 188
Ignored bad PDB record found on line 7067
BRANCH 188 189
Duplicate atom serial number found: 189
Duplicate atom serial number found: 191
Ignored bad PDB record found on line 7070
ENDBRANCH 188 189
Ignored bad PDB record found on line 7071
ENDBRANCH 185 188
Ignored bad PDB record found on line 7072
ENDBRANCH 184 185
Ignored bad PDB record found on line 7073
ENDBRANCH 171 172
Ignored bad PDB record found on line 7074
BRANCH 171 174
Duplicate atom serial number found: 174
Ignored bad PDB record found on line 7076
BRANCH 174 175
Duplicate atom serial number found: 175
Duplicate atom serial number found: 176
Duplicate atom serial number found: 177
Duplicate atom serial number found: 178
Duplicate atom serial number found: 179
1 messages similar to the above omitted
Ignored bad PDB record found on line 7083
BRANCH 180 181
Duplicate atom serial number found: 181
Duplicate atom serial number found: 183
Ignored bad PDB record found on line 7086
ENDBRANCH 180 181
Ignored bad PDB record found on line 7087
ENDBRANCH 174 175
Ignored bad PDB record found on line 7088
ENDBRANCH 171 174
Ignored bad PDB record found on line 7089
ENDBRANCH 170 171
Ignored bad PDB record found on line 7090
ENDBRANCH 161 162
1 messages similar to the above omitted
Duplicate atom serial number found: 164
Ignored bad PDB record found on line 7093
BRANCH 164 165
Duplicate atom serial number found: 165
Ignored bad PDB record found on line 7095
BRANCH 165 166
Duplicate atom serial number found: 166
Duplicate atom serial number found: 167
Duplicate atom serial number found: 168
Ignored bad PDB record found on line 7099
ENDBRANCH 165 166
Ignored bad PDB record found on line 7100
ENDBRANCH 164 165
Ignored bad PDB record found on line 7101
ENDBRANCH 161 164
Ignored bad PDB record found on line 7102
ENDBRANCH 160 161
Ignored bad PDB record found on line 7103
ENDBRANCH 152 153
1 messages similar to the above omitted
Duplicate atom serial number found: 155
Duplicate atom serial number found: 157
Ignored bad PDB record found on line 7107
BRANCH 155 156
Duplicate atom serial number found: 156
Duplicate atom serial number found: 158
Ignored bad PDB record found on line 7110
ENDBRANCH 155 156
Ignored bad PDB record found on line 7111
ENDBRANCH 152 155
Ignored bad PDB record found on line 7112
ENDBRANCH 151 152
Ignored bad PDB record found on line 7113
ENDBRANCH 144 145
Ignored bad PDB record found on line 7114
BRANCH 144 147
Duplicate atom serial number found: 147
Duplicate atom serial number found: 148
Duplicate atom serial number found: 149
Ignored bad PDB record found on line 7118
ENDBRANCH 144 147
Ignored bad PDB record found on line 7119
ENDBRANCH 143 144
Ignored bad PDB record found on line 7120
ENDBRANCH 131 132
Ignored bad PDB record found on line 7121
BRANCH 131 134
Duplicate atom serial number found: 134
Ignored bad PDB record found on line 7123
BRANCH 134 135
Duplicate atom serial number found: 135
Ignored bad PDB record found on line 7125
BRANCH 135 136
Duplicate atom serial number found: 136
Ignored bad PDB record found on line 7127
BRANCH 136 137
Duplicate atom serial number found: 137
Ignored bad PDB record found on line 7129
BRANCH 137 138
Duplicate atom serial number found: 138
Duplicate atom serial number found: 140
Duplicate atom serial number found: 141
Duplicate atom serial number found: 142
Ignored bad PDB record found on line 7134
ENDBRANCH 137 138
Ignored bad PDB record found on line 7135
ENDBRANCH 136 137
Ignored bad PDB record found on line 7136
ENDBRANCH 135 136
Ignored bad PDB record found on line 7137
ENDBRANCH 134 135
Ignored bad PDB record found on line 7138
ENDBRANCH 131 134
5 messages similar to the above omitted
Duplicate atom serial number found: 108
Duplicate atom serial number found: 109
Duplicate atom serial number found: 115
Duplicate atom serial number found: 123
Ignored bad PDB record found on line 7148
BRANCH 108 107
Duplicate atom serial number found: 107
Ignored bad PDB record found on line 7150
BRANCH 107 106
Duplicate atom serial number found: 95
Duplicate atom serial number found: 96
Duplicate atom serial number found: 106
Duplicate atom serial number found: 114
Ignored bad PDB record found on line 7155
BRANCH 95 94
Duplicate atom serial number found: 94
Ignored bad PDB record found on line 7157
BRANCH 94 93
Duplicate atom serial number found: 87
Duplicate atom serial number found: 88
Duplicate atom serial number found: 93
Duplicate atom serial number found: 102
Ignored bad PDB record found on line 7162
BRANCH 87 86
Duplicate atom serial number found: 86
Ignored bad PDB record found on line 7164
BRANCH 86 85
Duplicate atom serial number found: 78
Duplicate atom serial number found: 79
Duplicate atom serial number found: 85
Duplicate atom serial number found: 91
Ignored bad PDB record found on line 7169
BRANCH 78 77
Duplicate atom serial number found: 77
Ignored bad PDB record found on line 7171
BRANCH 77 76
Duplicate atom serial number found: 70
Duplicate atom serial number found: 71
Duplicate atom serial number found: 76
Duplicate atom serial number found: 83
Ignored bad PDB record found on line 7176
BRANCH 70 69
Duplicate atom serial number found: 69
Ignored bad PDB record found on line 7178
BRANCH 69 68
Duplicate atom serial number found: 59
Duplicate atom serial number found: 60
Duplicate atom serial number found: 68
Duplicate atom serial number found: 75
Ignored bad PDB record found on line 7183
BRANCH 59 58
Duplicate atom serial number found: 58
Ignored bad PDB record found on line 7185
BRANCH 58 57
Duplicate atom serial number found: 52
Duplicate atom serial number found: 53
Duplicate atom serial number found: 57
Duplicate atom serial number found: 65
Ignored bad PDB record found on line 7190
BRANCH 52 51
Duplicate atom serial number found: 43
Duplicate atom serial number found: 44
Duplicate atom serial number found: 50
Duplicate atom serial number found: 51
Duplicate atom serial number found: 54
2 messages similar to the above omitted
Ignored bad PDB record found on line 7198
BRANCH 43 42
Duplicate atom serial number found: 42
Ignored bad PDB record found on line 7200
BRANCH 42 41
Duplicate atom serial number found: 36
Duplicate atom serial number found: 37
Duplicate atom serial number found: 41
Duplicate atom serial number found: 49
Ignored bad PDB record found on line 7205
BRANCH 36 35
Duplicate atom serial number found: 28
Duplicate atom serial number found: 29
Duplicate atom serial number found: 34
Duplicate atom serial number found: 35
Duplicate atom serial number found: 38
2 messages similar to the above omitted
Ignored bad PDB record found on line 7213
BRANCH 28 27
Duplicate atom serial number found: 27
Ignored bad PDB record found on line 7215
BRANCH 27 26
Duplicate atom serial number found: 23
Duplicate atom serial number found: 24
Duplicate atom serial number found: 26
Duplicate atom serial number found: 33
Ignored bad PDB record found on line 7220
BRANCH 23 22
Duplicate atom serial number found: 22
Ignored bad PDB record found on line 7222
BRANCH 22 21
Duplicate atom serial number found: 12
Duplicate atom serial number found: 13
Duplicate atom serial number found: 21
Duplicate atom serial number found: 25
Ignored bad PDB record found on line 7227
BRANCH 12 11
Duplicate atom serial number found: 11
Ignored bad PDB record found on line 7229
BRANCH 11 10
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 10
Duplicate atom serial number found: 18
Ignored bad PDB record found on line 7234
BRANCH 3 2
Duplicate atom serial number found: 2
Ignored bad PDB record found on line 7236
BRANCH 2 1
Duplicate atom serial number found: 1
Duplicate atom serial number found: 9
Ignored bad PDB record found on line 7239
ENDBRANCH 2 1
Ignored bad PDB record found on line 7240
BRANCH 2 5
Duplicate atom serial number found: 5
Ignored bad PDB record found on line 7242
BRANCH 5 6
Duplicate atom serial number found: 6
Duplicate atom serial number found: 7
Duplicate atom serial number found: 8
Ignored bad PDB record found on line 7246
ENDBRANCH 5 6
Ignored bad PDB record found on line 7247
ENDBRANCH 2 5
Ignored bad PDB record found on line 7248
ENDBRANCH 3 2
Ignored bad PDB record found on line 7249
ENDBRANCH 11 10
Ignored bad PDB record found on line 7250
BRANCH 11 14
Duplicate atom serial number found: 14
Ignored bad PDB record found on line 7252
BRANCH 14 15
Duplicate atom serial number found: 15
Duplicate atom serial number found: 16
Duplicate atom serial number found: 17
Duplicate atom serial number found: 19
Duplicate atom serial number found: 20
Ignored bad PDB record found on line 7258
ENDBRANCH 14 15
Ignored bad PDB record found on line 7259
ENDBRANCH 11 14
Ignored bad PDB record found on line 7260
ENDBRANCH 12 11
Ignored bad PDB record found on line 7261
ENDBRANCH 22 21
Ignored bad PDB record found on line 7262
ENDBRANCH 23 22
2 messages similar to the above omitted
Duplicate atom serial number found: 30
Duplicate atom serial number found: 31
Duplicate atom serial number found: 32
Ignored bad PDB record found on line 7268
ENDBRANCH 27 30
Ignored bad PDB record found on line 7269
ENDBRANCH 28 27
Ignored bad PDB record found on line 7270
ENDBRANCH 36 35
Ignored bad PDB record found on line 7271
ENDBRANCH 42 41
Ignored bad PDB record found on line 7272
BRANCH 42 45
Duplicate atom serial number found: 45
Ignored bad PDB record found on line 7274
BRANCH 45 46
Duplicate atom serial number found: 46
Duplicate atom serial number found: 47
Duplicate atom serial number found: 48
Ignored bad PDB record found on line 7278
ENDBRANCH 45 46
Ignored bad PDB record found on line 7279
ENDBRANCH 42 45
Ignored bad PDB record found on line 7280
ENDBRANCH 43 42
Ignored bad PDB record found on line 7281
ENDBRANCH 52 51
Ignored bad PDB record found on line 7282
ENDBRANCH 58 57
1 messages similar to the above omitted
Duplicate atom serial number found: 61
Ignored bad PDB record found on line 7285
BRANCH 61 62
Duplicate atom serial number found: 62
Duplicate atom serial number found: 63
Duplicate atom serial number found: 64
Duplicate atom serial number found: 66
Duplicate atom serial number found: 67
Ignored bad PDB record found on line 7291
ENDBRANCH 61 62
Ignored bad PDB record found on line 7292
ENDBRANCH 58 61
Ignored bad PDB record found on line 7293
ENDBRANCH 59 58
Ignored bad PDB record found on line 7294
ENDBRANCH 69 68
Ignored bad PDB record found on line 7295
BRANCH 69 72
Duplicate atom serial number found: 72
Duplicate atom serial number found: 73
Duplicate atom serial number found: 74
Ignored bad PDB record found on line 7299
ENDBRANCH 69 72
Ignored bad PDB record found on line 7300
ENDBRANCH 70 69
Ignored bad PDB record found on line 7301
ENDBRANCH 77 76
Ignored bad PDB record found on line 7302
BRANCH 77 80
Duplicate atom serial number found: 80
Duplicate atom serial number found: 82
Ignored bad PDB record found on line 7305
BRANCH 80 81
Duplicate atom serial number found: 81
Duplicate atom serial number found: 84
Ignored bad PDB record found on line 7308
ENDBRANCH 80 81
Ignored bad PDB record found on line 7309
ENDBRANCH 77 80
Ignored bad PDB record found on line 7310
ENDBRANCH 78 77
Ignored bad PDB record found on line 7311
ENDBRANCH 86 85
Ignored bad PDB record found on line 7312
BRANCH 86 89
Duplicate atom serial number found: 89
Ignored bad PDB record found on line 7314
BRANCH 89 90
Duplicate atom serial number found: 90
Duplicate atom serial number found: 92
Ignored bad PDB record found on line 7317
ENDBRANCH 89 90
Ignored bad PDB record found on line 7318
ENDBRANCH 86 89
Ignored bad PDB record found on line 7319
ENDBRANCH 87 86
Ignored bad PDB record found on line 7320
ENDBRANCH 94 93
Ignored bad PDB record found on line 7321
BRANCH 94 97
Duplicate atom serial number found: 97
Ignored bad PDB record found on line 7323
BRANCH 97 98
Duplicate atom serial number found: 98
Ignored bad PDB record found on line 7325
BRANCH 98 99
Duplicate atom serial number found: 99
Ignored bad PDB record found on line 7327
BRANCH 99 100
Duplicate atom serial number found: 100
Ignored bad PDB record found on line 7329
BRANCH 100 101
Duplicate atom serial number found: 101
Duplicate atom serial number found: 103
Duplicate atom serial number found: 104
Duplicate atom serial number found: 105
Ignored bad PDB record found on line 7334
ENDBRANCH 100 101
Ignored bad PDB record found on line 7335
ENDBRANCH 99 100
Ignored bad PDB record found on line 7336
ENDBRANCH 98 99
Ignored bad PDB record found on line 7337
ENDBRANCH 97 98
Ignored bad PDB record found on line 7338
ENDBRANCH 94 97
3 messages similar to the above omitted
Duplicate atom serial number found: 110
Duplicate atom serial number found: 112
Ignored bad PDB record found on line 7344
BRANCH 110 111
Duplicate atom serial number found: 111
Duplicate atom serial number found: 113
Ignored bad PDB record found on line 7347
ENDBRANCH 110 111
Ignored bad PDB record found on line 7348
ENDBRANCH 107 110
Ignored bad PDB record found on line 7349
ENDBRANCH 108 107
Ignored bad PDB record found on line 7350
ENDBRANCH 116 115
Ignored bad PDB record found on line 7351
BRANCH 116 119
Duplicate atom serial number found: 119
Ignored bad PDB record found on line 7353
BRANCH 119 120
Duplicate atom serial number found: 120
Duplicate atom serial number found: 121
Duplicate atom serial number found: 122
Ignored bad PDB record found on line 7357
ENDBRANCH 119 120
Ignored bad PDB record found on line 7358
ENDBRANCH 116 119
Ignored bad PDB record found on line 7359
TORSDOF 96
Ignored bad PDB record found on line 7360
REMARK Name = ReceptorVeryClean.pdb
Ignored bad PDB record found on line 7361
REMARK 3211 active torsions:
3527 messages similar to the above omitted
Duplicate atom serial number found: 257
Duplicate atom serial number found: 258
Ignored bad PDB record found on line 11305
BRANCH 257 256
Duplicate atom serial number found: 256
Ignored bad PDB record found on line 11307
BRANCH 256 255
Duplicate atom serial number found: 248
Duplicate atom serial number found: 249
Duplicate atom serial number found: 255
Ignored bad PDB record found on line 11312
BRANCH 248 247
Duplicate atom serial number found: 247
Ignored bad PDB record found on line 11314
BRANCH 247 246
Duplicate atom serial number found: 239
Duplicate atom serial number found: 240
Duplicate atom serial number found: 246
Duplicate atom serial number found: 254
Ignored bad PDB record found on line 11319
BRANCH 239 238
Duplicate atom serial number found: 238
Ignored bad PDB record found on line 11321
BRANCH 238 237
Duplicate atom serial number found: 230
Duplicate atom serial number found: 231
Duplicate atom serial number found: 237
Duplicate atom serial number found: 245
Ignored bad PDB record found on line 11326
BRANCH 230 229
Duplicate atom serial number found: 229
Ignored bad PDB record found on line 11328
BRANCH 229 228
Duplicate atom serial number found: 219
Duplicate atom serial number found: 220
Duplicate atom serial number found: 228
Duplicate atom serial number found: 236
Ignored bad PDB record found on line 11333
BRANCH 219 218
Duplicate atom serial number found: 218
Ignored bad PDB record found on line 11335
BRANCH 218 217
Duplicate atom serial number found: 206
Duplicate atom serial number found: 207
Duplicate atom serial number found: 217
Duplicate atom serial number found: 225
Ignored bad PDB record found on line 11340
BRANCH 206 205
Duplicate atom serial number found: 205
Ignored bad PDB record found on line 11342
BRANCH 205 204
Duplicate atom serial number found: 197
Duplicate atom serial number found: 198
Duplicate atom serial number found: 204
Duplicate atom serial number found: 213
Ignored bad PDB record found on line 11347
BRANCH 197 196
Duplicate atom serial number found: 196
Ignored bad PDB record found on line 11349
BRANCH 196 195
Duplicate atom serial number found: 186
Duplicate atom serial number found: 187
Duplicate atom serial number found: 195
Duplicate atom serial number found: 203
Ignored bad PDB record found on line 11354
BRANCH 186 185
Duplicate atom serial number found: 185
Ignored bad PDB record found on line 11356
BRANCH 185 184
Duplicate atom serial number found: 177
Duplicate atom serial number found: 178
Duplicate atom serial number found: 184
Duplicate atom serial number found: 192
Ignored bad PDB record found on line 11361
BRANCH 177 176
Duplicate atom serial number found: 176
Ignored bad PDB record found on line 11363
BRANCH 176 175
Duplicate atom serial number found: 163
Duplicate atom serial number found: 164
Duplicate atom serial number found: 175
Duplicate atom serial number found: 183
Ignored bad PDB record found on line 11368
BRANCH 163 162
Duplicate atom serial number found: 162
Ignored bad PDB record found on line 11370
BRANCH 162 161
Duplicate atom serial number found: 152
Duplicate atom serial number found: 153
Duplicate atom serial number found: 161
Duplicate atom serial number found: 173
Ignored bad PDB record found on line 11375
BRANCH 152 151
Duplicate atom serial number found: 151
Ignored bad PDB record found on line 11377
BRANCH 151 150
Duplicate atom serial number found: 146
Duplicate atom serial number found: 147
Duplicate atom serial number found: 150
Duplicate atom serial number found: 158
Ignored bad PDB record found on line 11382
BRANCH 146 145
Duplicate atom serial number found: 145
Duplicate atom serial number found: 148
Ignored bad PDB record found on line 11385
BRANCH 145 144
Duplicate atom serial number found: 140
Duplicate atom serial number found: 141
Duplicate atom serial number found: 144
Duplicate atom serial number found: 149
Ignored bad PDB record found on line 11390
BRANCH 140 139
Duplicate atom serial number found: 139
Duplicate atom serial number found: 142
Ignored bad PDB record found on line 11393
BRANCH 139 138
Duplicate atom serial number found: 131
Duplicate atom serial number found: 132
Duplicate atom serial number found: 138
Duplicate atom serial number found: 143
Ignored bad PDB record found on line 11398
BRANCH 131 130
Duplicate atom serial number found: 130
Ignored bad PDB record found on line 11400
BRANCH 130 129
Duplicate atom serial number found: 122
Duplicate atom serial number found: 123
Duplicate atom serial number found: 129
Duplicate atom serial number found: 137
Ignored bad PDB record found on line 11405
BRANCH 122 121
Duplicate atom serial number found: 121
Ignored bad PDB record found on line 11407
BRANCH 121 120
Duplicate atom serial number found: 113
Duplicate atom serial number found: 114
Duplicate atom serial number found: 120
Duplicate atom serial number found: 128
Ignored bad PDB record found on line 11412
BRANCH 113 112
Duplicate atom serial number found: 112
Ignored bad PDB record found on line 11414
BRANCH 112 111
Duplicate atom serial number found: 103
Duplicate atom serial number found: 104
Duplicate atom serial number found: 111
Duplicate atom serial number found: 119
Ignored bad PDB record found on line 11419
BRANCH 103 102
Duplicate atom serial number found: 102
Ignored bad PDB record found on line 11421
BRANCH 102 101
Duplicate atom serial number found: 91
Duplicate atom serial number found: 92
Duplicate atom serial number found: 101
Duplicate atom serial number found: 110
Ignored bad PDB record found on line 11426
BRANCH 91 90
Duplicate atom serial number found: 90
Ignored bad PDB record found on line 11428
BRANCH 90 89
Duplicate atom serial number found: 82
Duplicate atom serial number found: 83
Duplicate atom serial number found: 89
Duplicate atom serial number found: 100
Ignored bad PDB record found on line 11433
BRANCH 82 81
Duplicate atom serial number found: 81
Ignored bad PDB record found on line 11435
BRANCH 81 80
Duplicate atom serial number found: 73
Duplicate atom serial number found: 74
Duplicate atom serial number found: 80
Duplicate atom serial number found: 88
Ignored bad PDB record found on line 11440
BRANCH 73 72
Duplicate atom serial number found: 72
Ignored bad PDB record found on line 11442
BRANCH 72 71
Duplicate atom serial number found: 67
Duplicate atom serial number found: 68
Duplicate atom serial number found: 71
Duplicate atom serial number found: 78
Ignored bad PDB record found on line 11447
BRANCH 67 66
Duplicate atom serial number found: 66
Duplicate atom serial number found: 69
Ignored bad PDB record found on line 11450
BRANCH 66 65
Duplicate atom serial number found: 55
Duplicate atom serial number found: 56
Duplicate atom serial number found: 65
Duplicate atom serial number found: 70
Ignored bad PDB record found on line 11455
BRANCH 55 54
Duplicate atom serial number found: 54
Ignored bad PDB record found on line 11457
BRANCH 54 53
Duplicate atom serial number found: 46
Duplicate atom serial number found: 47
Duplicate atom serial number found: 53
Duplicate atom serial number found: 62
Ignored bad PDB record found on line 11462
BRANCH 46 45
Duplicate atom serial number found: 45
Ignored bad PDB record found on line 11464
BRANCH 45 44
Duplicate atom serial number found: 37
Duplicate atom serial number found: 38
Duplicate atom serial number found: 44
Duplicate atom serial number found: 52
Ignored bad PDB record found on line 11469
BRANCH 37 36
Duplicate atom serial number found: 36
Ignored bad PDB record found on line 11471
BRANCH 36 35
Duplicate atom serial number found: 24
Duplicate atom serial number found: 25
Duplicate atom serial number found: 35
Duplicate atom serial number found: 43
Ignored bad PDB record found on line 11476
BRANCH 24 23
Duplicate atom serial number found: 23
Ignored bad PDB record found on line 11478
BRANCH 23 22
Duplicate atom serial number found: 15
Duplicate atom serial number found: 16
Duplicate atom serial number found: 22
Duplicate atom serial number found: 31
Ignored bad PDB record found on line 11483
BRANCH 15 14
Duplicate atom serial number found: 14
Ignored bad PDB record found on line 11485
BRANCH 14 13
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 13
Duplicate atom serial number found: 21
Ignored bad PDB record found on line 11490
BRANCH 3 2
Duplicate atom serial number found: 2
Ignored bad PDB record found on line 11492
BRANCH 2 1
Duplicate atom serial number found: 1
Duplicate atom serial number found: 12
Ignored bad PDB record found on line 11495
ENDBRANCH 2 1
Ignored bad PDB record found on line 11496
BRANCH 2 5
Duplicate atom serial number found: 5
Ignored bad PDB record found on line 11498
BRANCH 5 6
Duplicate atom serial number found: 6
Duplicate atom serial number found: 7
Duplicate atom serial number found: 8
Duplicate atom serial number found: 9
Duplicate atom serial number found: 10
1 messages similar to the above omitted
Ignored bad PDB record found on line 11505
ENDBRANCH 5 6
Ignored bad PDB record found on line 11506
ENDBRANCH 2 5
Ignored bad PDB record found on line 11507
ENDBRANCH 3 2
Ignored bad PDB record found on line 11508
ENDBRANCH 14 13
Ignored bad PDB record found on line 11509
BRANCH 14 17
Duplicate atom serial number found: 17
Ignored bad PDB record found on line 11511
BRANCH 17 18
Duplicate atom serial number found: 18
Ignored bad PDB record found on line 11513
BRANCH 18 19
Duplicate atom serial number found: 19
Duplicate atom serial number found: 20
Ignored bad PDB record found on line 11516
ENDBRANCH 18 19
Ignored bad PDB record found on line 11517
ENDBRANCH 17 18
Ignored bad PDB record found on line 11518
ENDBRANCH 14 17
Ignored bad PDB record found on line 11519
ENDBRANCH 15 14
Ignored bad PDB record found on line 11520
ENDBRANCH 23 22
1 messages similar to the above omitted
Duplicate atom serial number found: 26
Ignored bad PDB record found on line 11523
BRANCH 26 27
Duplicate atom serial number found: 27
Ignored bad PDB record found on line 11525
BRANCH 27 28
Duplicate atom serial number found: 28
Ignored bad PDB record found on line 11527
BRANCH 28 29
Duplicate atom serial number found: 29
Ignored bad PDB record found on line 11529
BRANCH 29 30
Duplicate atom serial number found: 30
Duplicate atom serial number found: 32
Duplicate atom serial number found: 33
Duplicate atom serial number found: 34
Ignored bad PDB record found on line 11534
ENDBRANCH 29 30
Ignored bad PDB record found on line 11535
ENDBRANCH 28 29
Ignored bad PDB record found on line 11536
ENDBRANCH 27 28
Ignored bad PDB record found on line 11537
ENDBRANCH 26 27
Ignored bad PDB record found on line 11538
ENDBRANCH 23 26
3 messages similar to the above omitted
Duplicate atom serial number found: 39
Duplicate atom serial number found: 41
Ignored bad PDB record found on line 11544
BRANCH 39 40
Duplicate atom serial number found: 40
Duplicate atom serial number found: 42
Ignored bad PDB record found on line 11547
ENDBRANCH 39 40
Ignored bad PDB record found on line 11548
ENDBRANCH 36 39
Ignored bad PDB record found on line 11549
ENDBRANCH 37 36
Ignored bad PDB record found on line 11550
ENDBRANCH 45 44
Ignored bad PDB record found on line 11551
BRANCH 45 48
Duplicate atom serial number found: 48
Ignored bad PDB record found on line 11553
BRANCH 48 49
Duplicate atom serial number found: 49
Duplicate atom serial number found: 50
Duplicate atom serial number found: 51
Ignored bad PDB record found on line 11557
ENDBRANCH 48 49
Ignored bad PDB record found on line 11558
ENDBRANCH 45 48
Ignored bad PDB record found on line 11559
ENDBRANCH 46 45
Ignored bad PDB record found on line 11560
ENDBRANCH 54 53
Ignored bad PDB record found on line 11561
BRANCH 54 57
Duplicate atom serial number found: 57
Ignored bad PDB record found on line 11563
BRANCH 57 58
Duplicate atom serial number found: 58
Ignored bad PDB record found on line 11565
BRANCH 58 59
Duplicate atom serial number found: 59
Duplicate atom serial number found: 60
Duplicate atom serial number found: 61
Duplicate atom serial number found: 63
Duplicate atom serial number found: 64
Ignored bad PDB record found on line 11571
ENDBRANCH 58 59
Ignored bad PDB record found on line 11572
ENDBRANCH 57 58
Ignored bad PDB record found on line 11573
ENDBRANCH 54 57
Ignored bad PDB record found on line 11574
ENDBRANCH 55 54
Ignored bad PDB record found on line 11575
ENDBRANCH 66 65
3 messages similar to the above omitted
Duplicate atom serial number found: 75
Duplicate atom serial number found: 77
Ignored bad PDB record found on line 11581
BRANCH 75 76
Duplicate atom serial number found: 76
Duplicate atom serial number found: 79
Ignored bad PDB record found on line 11584
ENDBRANCH 75 76
Ignored bad PDB record found on line 11585
ENDBRANCH 72 75
Ignored bad PDB record found on line 11586
ENDBRANCH 73 72
Ignored bad PDB record found on line 11587
ENDBRANCH 81 80
Ignored bad PDB record found on line 11588
BRANCH 81 84
Duplicate atom serial number found: 84
Ignored bad PDB record found on line 11590
BRANCH 84 85
Duplicate atom serial number found: 85
Duplicate atom serial number found: 86
Duplicate atom serial number found: 87
Ignored bad PDB record found on line 11594
ENDBRANCH 84 85
Ignored bad PDB record found on line 11595
ENDBRANCH 81 84
Ignored bad PDB record found on line 11596
ENDBRANCH 82 81
Ignored bad PDB record found on line 11597
ENDBRANCH 90 89
Ignored bad PDB record found on line 11598
BRANCH 90 93
Duplicate atom serial number found: 93
Ignored bad PDB record found on line 11600
BRANCH 93 94
Duplicate atom serial number found: 94
Duplicate atom serial number found: 95
Duplicate atom serial number found: 96
Duplicate atom serial number found: 97
Duplicate atom serial number found: 98
1 messages similar to the above omitted
Ignored bad PDB record found on line 11607
ENDBRANCH 93 94
Ignored bad PDB record found on line 11608
ENDBRANCH 90 93
Ignored bad PDB record found on line 11609
ENDBRANCH 91 90
Ignored bad PDB record found on line 11610
ENDBRANCH 102 101
Ignored bad PDB record found on line 11611
BRANCH 102 105
Duplicate atom serial number found: 105
Ignored bad PDB record found on line 11613
BRANCH 105 106
Duplicate atom serial number found: 106
Ignored bad PDB record found on line 11615
BRANCH 106 107
Duplicate atom serial number found: 107
Duplicate atom serial number found: 108
Duplicate atom serial number found: 109
Ignored bad PDB record found on line 11619
ENDBRANCH 106 107
Ignored bad PDB record found on line 11620
ENDBRANCH 105 106
Ignored bad PDB record found on line 11621
ENDBRANCH 102 105
Ignored bad PDB record found on line 11622
ENDBRANCH 103 102
Ignored bad PDB record found on line 11623
ENDBRANCH 112 111
1 messages similar to the above omitted
Duplicate atom serial number found: 115
Ignored bad PDB record found on line 11626
BRANCH 115 116
Duplicate atom serial number found: 116
Duplicate atom serial number found: 117
Duplicate atom serial number found: 118
Ignored bad PDB record found on line 11630
ENDBRANCH 115 116
Ignored bad PDB record found on line 11631
ENDBRANCH 112 115
Ignored bad PDB record found on line 11632
ENDBRANCH 113 112
Ignored bad PDB record found on line 11633
ENDBRANCH 121 120
Ignored bad PDB record found on line 11634
BRANCH 121 124
Duplicate atom serial number found: 124
Duplicate atom serial number found: 126
Ignored bad PDB record found on line 11637
BRANCH 124 125
Duplicate atom serial number found: 125
Duplicate atom serial number found: 127
Ignored bad PDB record found on line 11640
ENDBRANCH 124 125
Ignored bad PDB record found on line 11641
ENDBRANCH 121 124
Ignored bad PDB record found on line 11642
ENDBRANCH 122 121
Ignored bad PDB record found on line 11643
ENDBRANCH 130 129
Ignored bad PDB record found on line 11644
BRANCH 130 133
Duplicate atom serial number found: 133
Ignored bad PDB record found on line 11646
BRANCH 133 134
Duplicate atom serial number found: 134
Duplicate atom serial number found: 135
Duplicate atom serial number found: 136
Ignored bad PDB record found on line 11650
ENDBRANCH 133 134
Ignored bad PDB record found on line 11651
ENDBRANCH 130 133
Ignored bad PDB record found on line 11652
ENDBRANCH 131 130
Ignored bad PDB record found on line 11653
ENDBRANCH 139 138
Ignored bad PDB record found on line 11654
ENDBRANCH 140 139
4 messages similar to the above omitted
Duplicate atom serial number found: 154
Ignored bad PDB record found on line 11660
BRANCH 154 155
Duplicate atom serial number found: 155
Duplicate atom serial number found: 156
Duplicate atom serial number found: 157
Duplicate atom serial number found: 159
Duplicate atom serial number found: 160
Ignored bad PDB record found on line 11666
ENDBRANCH 154 155
Ignored bad PDB record found on line 11667
ENDBRANCH 151 154
Ignored bad PDB record found on line 11668
ENDBRANCH 152 151
Ignored bad PDB record found on line 11669
ENDBRANCH 162 161
Ignored bad PDB record found on line 11670
BRANCH 162 165
Duplicate atom serial number found: 165
Ignored bad PDB record found on line 11672
BRANCH 165 166
Duplicate atom serial number found: 166
Duplicate atom serial number found: 167
Duplicate atom serial number found: 168
Duplicate atom serial number found: 169
Duplicate atom serial number found: 170
1 messages similar to the above omitted
Ignored bad PDB record found on line 11679
BRANCH 171 172
Duplicate atom serial number found: 172
Duplicate atom serial number found: 174
Ignored bad PDB record found on line 11682
ENDBRANCH 171 172
Ignored bad PDB record found on line 11683
ENDBRANCH 165 166
Ignored bad PDB record found on line 11684
ENDBRANCH 162 165
Ignored bad PDB record found on line 11685
ENDBRANCH 163 162
Ignored bad PDB record found on line 11686
ENDBRANCH 176 175
1 messages similar to the above omitted
Duplicate atom serial number found: 179
Ignored bad PDB record found on line 11689
BRANCH 179 180
Duplicate atom serial number found: 180
Duplicate atom serial number found: 181
Duplicate atom serial number found: 182
Ignored bad PDB record found on line 11693
ENDBRANCH 179 180
Ignored bad PDB record found on line 11694
ENDBRANCH 176 179
Ignored bad PDB record found on line 11695
ENDBRANCH 177 176
Ignored bad PDB record found on line 11696
ENDBRANCH 185 184
Ignored bad PDB record found on line 11697
BRANCH 185 188
Duplicate atom serial number found: 188
Ignored bad PDB record found on line 11699
BRANCH 188 189
Duplicate atom serial number found: 189
Duplicate atom serial number found: 190
Duplicate atom serial number found: 191
Duplicate atom serial number found: 193
Duplicate atom serial number found: 194
Ignored bad PDB record found on line 11705
ENDBRANCH 188 189
Ignored bad PDB record found on line 11706
ENDBRANCH 185 188
Ignored bad PDB record found on line 11707
ENDBRANCH 186 185
Ignored bad PDB record found on line 11708
ENDBRANCH 196 195
Ignored bad PDB record found on line 11709
BRANCH 196 199
Duplicate atom serial number found: 199
Duplicate atom serial number found: 201
Ignored bad PDB record found on line 11712
BRANCH 199 200
Duplicate atom serial number found: 200
Duplicate atom serial number found: 202
Ignored bad PDB record found on line 11715
ENDBRANCH 199 200
Ignored bad PDB record found on line 11716
ENDBRANCH 196 199
Ignored bad PDB record found on line 11717
ENDBRANCH 197 196
Ignored bad PDB record found on line 11718
ENDBRANCH 205 204
Ignored bad PDB record found on line 11719
BRANCH 205 208
Duplicate atom serial number found: 208
Ignored bad PDB record found on line 11721
BRANCH 208 209
Duplicate atom serial number found: 209
Ignored bad PDB record found on line 11723
BRANCH 209 210
Duplicate atom serial number found: 210
Ignored bad PDB record found on line 11725
BRANCH 210 211
Duplicate atom serial number found: 211
Ignored bad PDB record found on line 11727
BRANCH 211 212
Duplicate atom serial number found: 212
Duplicate atom serial number found: 214
Duplicate atom serial number found: 215
Duplicate atom serial number found: 216
Ignored bad PDB record found on line 11732
ENDBRANCH 211 212
Ignored bad PDB record found on line 11733
ENDBRANCH 210 211
Ignored bad PDB record found on line 11734
ENDBRANCH 209 210
Ignored bad PDB record found on line 11735
ENDBRANCH 208 209
Ignored bad PDB record found on line 11736
ENDBRANCH 205 208
3 messages similar to the above omitted
Duplicate atom serial number found: 221
Ignored bad PDB record found on line 11741
BRANCH 221 222
Duplicate atom serial number found: 222
Duplicate atom serial number found: 223
Duplicate atom serial number found: 224
Duplicate atom serial number found: 226
Duplicate atom serial number found: 227
Ignored bad PDB record found on line 11747
ENDBRANCH 221 222
Ignored bad PDB record found on line 11748
ENDBRANCH 218 221
Ignored bad PDB record found on line 11749
ENDBRANCH 219 218
Ignored bad PDB record found on line 11750
ENDBRANCH 229 228
Ignored bad PDB record found on line 11751
BRANCH 229 232
Duplicate atom serial number found: 232
Ignored bad PDB record found on line 11753
BRANCH 232 233
Duplicate atom serial number found: 233
Duplicate atom serial number found: 234
Duplicate atom serial number found: 235
Ignored bad PDB record found on line 11757
ENDBRANCH 232 233
Ignored bad PDB record found on line 11758
ENDBRANCH 229 232
Ignored bad PDB record found on line 11759
ENDBRANCH 230 229
Ignored bad PDB record found on line 11760
ENDBRANCH 238 237
Ignored bad PDB record found on line 11761
BRANCH 238 241
Duplicate atom serial number found: 241
Ignored bad PDB record found on line 11763
BRANCH 241 242
Duplicate atom serial number found: 242
Duplicate atom serial number found: 243
Duplicate atom serial number found: 244
Ignored bad PDB record found on line 11767
ENDBRANCH 241 242
Ignored bad PDB record found on line 11768
ENDBRANCH 238 241
Ignored bad PDB record found on line 11769
ENDBRANCH 239 238
Ignored bad PDB record found on line 11770
ENDBRANCH 247 246
Ignored bad PDB record found on line 11771
BRANCH 247 250
Duplicate atom serial number found: 250
Ignored bad PDB record found on line 11773
BRANCH 250 251
Duplicate atom serial number found: 251
Duplicate atom serial number found: 252
Duplicate atom serial number found: 253
Ignored bad PDB record found on line 11777
ENDBRANCH 250 251
Ignored bad PDB record found on line 11778
ENDBRANCH 247 250
Ignored bad PDB record found on line 11779
ENDBRANCH 248 247
Ignored bad PDB record found on line 11780
ENDBRANCH 256 255
Ignored bad PDB record found on line 11781
BRANCH 256 259
Duplicate atom serial number found: 259
Ignored bad PDB record found on line 11783
BRANCH 259 260
Duplicate atom serial number found: 260
Duplicate atom serial number found: 261
Duplicate atom serial number found: 262
Ignored bad PDB record found on line 11787
ENDBRANCH 259 260
Ignored bad PDB record found on line 11788
ENDBRANCH 256 259
Ignored bad PDB record found on line 11789
ENDBRANCH 257 256
Ignored bad PDB record found on line 11790
ENDBRANCH 265 264
Ignored bad PDB record found on line 11791
BRANCH 265 268
3697 messages similar to the above omitted
Duplicate atom serial number found: 712
Duplicate atom serial number found: 713
Ignored bad PDB record found on line 16636
BRANCH 712 711
Duplicate atom serial number found: 699
Duplicate atom serial number found: 700
Duplicate atom serial number found: 710
Duplicate atom serial number found: 711
Duplicate atom serial number found: 714
2 messages similar to the above omitted
Ignored bad PDB record found on line 16644
BRANCH 699 698
Duplicate atom serial number found: 698
Ignored bad PDB record found on line 16646
BRANCH 698 697
Duplicate atom serial number found: 694
Duplicate atom serial number found: 695
Duplicate atom serial number found: 697
Duplicate atom serial number found: 706
Ignored bad PDB record found on line 16651
BRANCH 694 693
Duplicate atom serial number found: 693
Ignored bad PDB record found on line 16653
BRANCH 693 692
Duplicate atom serial number found: 681
Duplicate atom serial number found: 682
Duplicate atom serial number found: 692
Duplicate atom serial number found: 696
Ignored bad PDB record found on line 16658
BRANCH 681 680
Duplicate atom serial number found: 680
Ignored bad PDB record found on line 16660
BRANCH 680 679
Duplicate atom serial number found: 672
Duplicate atom serial number found: 673
Duplicate atom serial number found: 679
Duplicate atom serial number found: 688
Ignored bad PDB record found on line 16665
BRANCH 672 671
Duplicate atom serial number found: 671
Ignored bad PDB record found on line 16667
BRANCH 671 670
Duplicate atom serial number found: 662
Duplicate atom serial number found: 663
Duplicate atom serial number found: 670
Duplicate atom serial number found: 678
Ignored bad PDB record found on line 16672
BRANCH 662 661
Duplicate atom serial number found: 661
Ignored bad PDB record found on line 16674
BRANCH 661 660
Duplicate atom serial number found: 654
Duplicate atom serial number found: 655
Duplicate atom serial number found: 660
Duplicate atom serial number found: 669
Ignored bad PDB record found on line 16679
BRANCH 654 653
Duplicate atom serial number found: 653
Ignored bad PDB record found on line 16681
BRANCH 653 652
Duplicate atom serial number found: 646
Duplicate atom serial number found: 647
Duplicate atom serial number found: 652
Duplicate atom serial number found: 659
Ignored bad PDB record found on line 16686
BRANCH 646 645
Duplicate atom serial number found: 645
Ignored bad PDB record found on line 16688
BRANCH 645 644
Duplicate atom serial number found: 629
Duplicate atom serial number found: 630
Duplicate atom serial number found: 644
Duplicate atom serial number found: 650
Ignored bad PDB record found on line 16693
BRANCH 629 628
Duplicate atom serial number found: 628
Ignored bad PDB record found on line 16695
BRANCH 628 627
Duplicate atom serial number found: 621
Duplicate atom serial number found: 622
Duplicate atom serial number found: 627
Duplicate atom serial number found: 638
Ignored bad PDB record found on line 16700
BRANCH 621 620
Duplicate atom serial number found: 620
Ignored bad PDB record found on line 16702
BRANCH 620 619
Duplicate atom serial number found: 608
Duplicate atom serial number found: 609
Duplicate atom serial number found: 619
Duplicate atom serial number found: 626
Ignored bad PDB record found on line 16707
BRANCH 608 607
Duplicate atom serial number found: 607
Ignored bad PDB record found on line 16709
BRANCH 607 606
Duplicate atom serial number found: 601
Duplicate atom serial number found: 602
Duplicate atom serial number found: 606
Duplicate atom serial number found: 615
Ignored bad PDB record found on line 16714
BRANCH 601 600
Duplicate atom serial number found: 589
Duplicate atom serial number found: 590
Duplicate atom serial number found: 599
Duplicate atom serial number found: 600
Duplicate atom serial number found: 603
2 messages similar to the above omitted
Ignored bad PDB record found on line 16722
BRANCH 589 588
Duplicate atom serial number found: 588
Ignored bad PDB record found on line 16724
BRANCH 588 587
Duplicate atom serial number found: 572
Duplicate atom serial number found: 573
Duplicate atom serial number found: 587
Duplicate atom serial number found: 598
Ignored bad PDB record found on line 16729
BRANCH 572 571
Duplicate atom serial number found: 571
Ignored bad PDB record found on line 16731
BRANCH 571 570
Duplicate atom serial number found: 555
Duplicate atom serial number found: 556
Duplicate atom serial number found: 570
Duplicate atom serial number found: 581
Ignored bad PDB record found on line 16736
BRANCH 555 554
Duplicate atom serial number found: 554
Ignored bad PDB record found on line 16738
BRANCH 554 553
Duplicate atom serial number found: 546
Duplicate atom serial number found: 547
Duplicate atom serial number found: 553
Duplicate atom serial number found: 564
Ignored bad PDB record found on line 16743
BRANCH 546 545
Duplicate atom serial number found: 545
Ignored bad PDB record found on line 16745
BRANCH 545 544
Duplicate atom serial number found: 538
Duplicate atom serial number found: 539
Duplicate atom serial number found: 544
Duplicate atom serial number found: 552
Ignored bad PDB record found on line 16750
BRANCH 538 537
Duplicate atom serial number found: 537
Ignored bad PDB record found on line 16752
BRANCH 537 536
Duplicate atom serial number found: 529
Duplicate atom serial number found: 530
Duplicate atom serial number found: 536
Duplicate atom serial number found: 543
Ignored bad PDB record found on line 16757
BRANCH 529 528
Duplicate atom serial number found: 528
Ignored bad PDB record found on line 16759
BRANCH 528 527
Duplicate atom serial number found: 523
Duplicate atom serial number found: 524
Duplicate atom serial number found: 527
Duplicate atom serial number found: 534
Ignored bad PDB record found on line 16764
BRANCH 523 522
Duplicate atom serial number found: 522
Duplicate atom serial number found: 525
Ignored bad PDB record found on line 16767
BRANCH 522 521
Duplicate atom serial number found: 516
Duplicate atom serial number found: 517
Duplicate atom serial number found: 521
Duplicate atom serial number found: 526
Ignored bad PDB record found on line 16772
BRANCH 516 515
Duplicate atom serial number found: 508
Duplicate atom serial number found: 509
Duplicate atom serial number found: 514
Duplicate atom serial number found: 515
Duplicate atom serial number found: 518
2 messages similar to the above omitted
Ignored bad PDB record found on line 16780
BRANCH 508 507
Duplicate atom serial number found: 507
Ignored bad PDB record found on line 16782
BRANCH 507 506
Duplicate atom serial number found: 500
Duplicate atom serial number found: 501
Duplicate atom serial number found: 506
Duplicate atom serial number found: 512
Ignored bad PDB record found on line 16787
BRANCH 500 499
Duplicate atom serial number found: 499
Ignored bad PDB record found on line 16789
BRANCH 499 498
Duplicate atom serial number found: 494
Duplicate atom serial number found: 495
Duplicate atom serial number found: 498
Duplicate atom serial number found: 505
Ignored bad PDB record found on line 16794
BRANCH 494 493
Duplicate atom serial number found: 493
Duplicate atom serial number found: 496
Ignored bad PDB record found on line 16797
BRANCH 493 492
Duplicate atom serial number found: 480
Duplicate atom serial number found: 481
Duplicate atom serial number found: 492
Duplicate atom serial number found: 497
Ignored bad PDB record found on line 16802
BRANCH 480 479
Duplicate atom serial number found: 479
Ignored bad PDB record found on line 16804
BRANCH 479 478
Duplicate atom serial number found: 472
Duplicate atom serial number found: 473
Duplicate atom serial number found: 478
Duplicate atom serial number found: 490
Ignored bad PDB record found on line 16809
BRANCH 472 471
Duplicate atom serial number found: 471
Ignored bad PDB record found on line 16811
BRANCH 471 470
Duplicate atom serial number found: 461
Duplicate atom serial number found: 462
Duplicate atom serial number found: 470
Duplicate atom serial number found: 476
Ignored bad PDB record found on line 16816
BRANCH 461 460
Duplicate atom serial number found: 460
Ignored bad PDB record found on line 16818
BRANCH 460 459
Duplicate atom serial number found: 456
Duplicate atom serial number found: 457
Duplicate atom serial number found: 459
Duplicate atom serial number found: 467
Ignored bad PDB record found on line 16823
BRANCH 456 455
Duplicate atom serial number found: 455
Ignored bad PDB record found on line 16825
BRANCH 455 454
Duplicate atom serial number found: 447
Duplicate atom serial number found: 448
Duplicate atom serial number found: 454
Duplicate atom serial number found: 458
Ignored bad PDB record found on line 16830
BRANCH 447 446
Duplicate atom serial number found: 446
Ignored bad PDB record found on line 16832
BRANCH 446 445
Duplicate atom serial number found: 435
Duplicate atom serial number found: 436
Duplicate atom serial number found: 445
Duplicate atom serial number found: 453
Ignored bad PDB record found on line 16837
BRANCH 435 434
Duplicate atom serial number found: 434
Ignored bad PDB record found on line 16839
BRANCH 434 433
Duplicate atom serial number found: 427
Duplicate atom serial number found: 428
Duplicate atom serial number found: 433
Duplicate atom serial number found: 444
Ignored bad PDB record found on line 16844
BRANCH 427 426
Duplicate atom serial number found: 426
Ignored bad PDB record found on line 16846
BRANCH 426 425
Duplicate atom serial number found: 414
Duplicate atom serial number found: 415
Duplicate atom serial number found: 425
Duplicate atom serial number found: 432
Ignored bad PDB record found on line 16851
BRANCH 414 413
Duplicate atom serial number found: 413
Ignored bad PDB record found on line 16853
BRANCH 413 412
Duplicate atom serial number found: 397
Duplicate atom serial number found: 398
Duplicate atom serial number found: 412
Duplicate atom serial number found: 421
Ignored bad PDB record found on line 16858
BRANCH 397 396
Duplicate atom serial number found: 396
Ignored bad PDB record found on line 16860
BRANCH 396 395
Duplicate atom serial number found: 380
Duplicate atom serial number found: 381
Duplicate atom serial number found: 395
Duplicate atom serial number found: 406
Ignored bad PDB record found on line 16865
BRANCH 380 379
Duplicate atom serial number found: 379
Ignored bad PDB record found on line 16867
BRANCH 379 378
Duplicate atom serial number found: 372
Duplicate atom serial number found: 373
Duplicate atom serial number found: 378
Duplicate atom serial number found: 389
Ignored bad PDB record found on line 16872
BRANCH 372 371
Duplicate atom serial number found: 371
Ignored bad PDB record found on line 16874
BRANCH 371 370
Duplicate atom serial number found: 356
Duplicate atom serial number found: 357
Duplicate atom serial number found: 370
Duplicate atom serial number found: 376
Ignored bad PDB record found on line 16879
BRANCH 356 355
Duplicate atom serial number found: 355
Ignored bad PDB record found on line 16881
BRANCH 355 354
Duplicate atom serial number found: 339
Duplicate atom serial number found: 340
Duplicate atom serial number found: 354
Duplicate atom serial number found: 368
Ignored bad PDB record found on line 16886
BRANCH 339 338
Duplicate atom serial number found: 338
Ignored bad PDB record found on line 16888
BRANCH 338 337
Duplicate atom serial number found: 329
Duplicate atom serial number found: 330
Duplicate atom serial number found: 337
Duplicate atom serial number found: 348
Ignored bad PDB record found on line 16893
BRANCH 329 328
Duplicate atom serial number found: 328
Ignored bad PDB record found on line 16895
BRANCH 328 327
Duplicate atom serial number found: 320
Duplicate atom serial number found: 321
Duplicate atom serial number found: 327
Duplicate atom serial number found: 336
Ignored bad PDB record found on line 16900
BRANCH 320 319
Duplicate atom serial number found: 319
Ignored bad PDB record found on line 16902
BRANCH 319 318
Duplicate atom serial number found: 310
Duplicate atom serial number found: 311
Duplicate atom serial number found: 318
Duplicate atom serial number found: 326
Ignored bad PDB record found on line 16907
BRANCH 310 309
Duplicate atom serial number found: 309
Ignored bad PDB record found on line 16909
BRANCH 309 308
Duplicate atom serial number found: 296
Duplicate atom serial number found: 297
Duplicate atom serial number found: 308
Duplicate atom serial number found: 317
Ignored bad PDB record found on line 16914
BRANCH 296 295
Duplicate atom serial number found: 295
Ignored bad PDB record found on line 16916
BRANCH 295 294
Duplicate atom serial number found: 280
Duplicate atom serial number found: 281
Duplicate atom serial number found: 294
Duplicate atom serial number found: 306
Ignored bad PDB record found on line 16921
BRANCH 280 279
Duplicate atom serial number found: 279
Ignored bad PDB record found on line 16923
BRANCH 279 278
Duplicate atom serial number found: 272
Duplicate atom serial number found: 273
Duplicate atom serial number found: 278
Duplicate atom serial number found: 292
Ignored bad PDB record found on line 16928
BRANCH 272 271
Duplicate atom serial number found: 271
Ignored bad PDB record found on line 16930
BRANCH 271 270
Duplicate atom serial number found: 259
Duplicate atom serial number found: 260
Duplicate atom serial number found: 270
Duplicate atom serial number found: 276
Ignored bad PDB record found on line 16935
BRANCH 259 258
Duplicate atom serial number found: 258
Ignored bad PDB record found on line 16937
BRANCH 258 257
Duplicate atom serial number found: 251
Duplicate atom serial number found: 252
Duplicate atom serial number found: 257
Duplicate atom serial number found: 266
Ignored bad PDB record found on line 16942
BRANCH 251 250
Duplicate atom serial number found: 250
Ignored bad PDB record found on line 16944
BRANCH 250 249
Duplicate atom serial number found: 243
Duplicate atom serial number found: 244
Duplicate atom serial number found: 249
Duplicate atom serial number found: 255
Ignored bad PDB record found on line 16949
BRANCH 243 242
Duplicate atom serial number found: 242
Ignored bad PDB record found on line 16951
BRANCH 242 241
Duplicate atom serial number found: 234
Duplicate atom serial number found: 235
Duplicate atom serial number found: 241
Duplicate atom serial number found: 248
Ignored bad PDB record found on line 16956
BRANCH 234 233
Duplicate atom serial number found: 233
Ignored bad PDB record found on line 16958
BRANCH 233 232
Duplicate atom serial number found: 226
Duplicate atom serial number found: 227
Duplicate atom serial number found: 232
Duplicate atom serial number found: 240
Ignored bad PDB record found on line 16963
BRANCH 226 225
Duplicate atom serial number found: 225
Ignored bad PDB record found on line 16965
BRANCH 225 224
Duplicate atom serial number found: 218
Duplicate atom serial number found: 219
Duplicate atom serial number found: 224
Duplicate atom serial number found: 230
Ignored bad PDB record found on line 16970
BRANCH 218 217
Duplicate atom serial number found: 217
Ignored bad PDB record found on line 16972
BRANCH 217 216
Duplicate atom serial number found: 210
Duplicate atom serial number found: 211
Duplicate atom serial number found: 216
Duplicate atom serial number found: 223
Ignored bad PDB record found on line 16977
BRANCH 210 209
Duplicate atom serial number found: 209
Ignored bad PDB record found on line 16979
BRANCH 209 208
Duplicate atom serial number found: 199
Duplicate atom serial number found: 200
Duplicate atom serial number found: 208
Duplicate atom serial number found: 214
Ignored bad PDB record found on line 16984
BRANCH 199 198
Duplicate atom serial number found: 198
Ignored bad PDB record found on line 16986
BRANCH 198 197
Duplicate atom serial number found: 182
Duplicate atom serial number found: 183
Duplicate atom serial number found: 197
Duplicate atom serial number found: 205
Ignored bad PDB record found on line 16991
BRANCH 182 181
Duplicate atom serial number found: 181
Ignored bad PDB record found on line 16993
BRANCH 181 180
Duplicate atom serial number found: 173
Duplicate atom serial number found: 174
Duplicate atom serial number found: 180
Duplicate atom serial number found: 191
Ignored bad PDB record found on line 16998
BRANCH 173 172
Duplicate atom serial number found: 172
Ignored bad PDB record found on line 17000
BRANCH 172 171
Duplicate atom serial number found: 160
Duplicate atom serial number found: 161
Duplicate atom serial number found: 171
Duplicate atom serial number found: 179
Ignored bad PDB record found on line 17005
BRANCH 160 159
Duplicate atom serial number found: 159
Ignored bad PDB record found on line 17007
BRANCH 159 158
Duplicate atom serial number found: 151
Duplicate atom serial number found: 152
Duplicate atom serial number found: 158
Duplicate atom serial number found: 167
Ignored bad PDB record found on line 17012
BRANCH 151 150
Duplicate atom serial number found: 150
Ignored bad PDB record found on line 17014
BRANCH 150 149
Duplicate atom serial number found: 142
Duplicate atom serial number found: 143
Duplicate atom serial number found: 149
Duplicate atom serial number found: 157
Ignored bad PDB record found on line 17019
BRANCH 142 141
Duplicate atom serial number found: 141
Ignored bad PDB record found on line 17021
BRANCH 141 140
Duplicate atom serial number found: 130
Duplicate atom serial number found: 131
Duplicate atom serial number found: 140
Duplicate atom serial number found: 148
Ignored bad PDB record found on line 17026
BRANCH 130 129
Duplicate atom serial number found: 129
Ignored bad PDB record found on line 17028
BRANCH 129 128
Duplicate atom serial number found: 121
Duplicate atom serial number found: 122
Duplicate atom serial number found: 128
Duplicate atom serial number found: 137
Ignored bad PDB record found on line 17033
BRANCH 121 120
Duplicate atom serial number found: 120
Ignored bad PDB record found on line 17035
BRANCH 120 119
Duplicate atom serial number found: 109
Duplicate atom serial number found: 110
Duplicate atom serial number found: 119
Duplicate atom serial number found: 127
Ignored bad PDB record found on line 17040
BRANCH 109 108
Duplicate atom serial number found: 108
Ignored bad PDB record found on line 17042
BRANCH 108 107
Duplicate atom serial number found: 101
Duplicate atom serial number found: 102
Duplicate atom serial number found: 107
Duplicate atom serial number found: 118
Ignored bad PDB record found on line 17047
BRANCH 101 100
Duplicate atom serial number found: 100
Ignored bad PDB record found on line 17049
BRANCH 100 99
Duplicate atom serial number found: 89
Duplicate atom serial number found: 90
Duplicate atom serial number found: 99
Duplicate atom serial number found: 105
Ignored bad PDB record found on line 17054
BRANCH 89 88
Duplicate atom serial number found: 88
Ignored bad PDB record found on line 17056
BRANCH 88 87
Duplicate atom serial number found: 81
Duplicate atom serial number found: 82
Duplicate atom serial number found: 87
Duplicate atom serial number found: 98
Ignored bad PDB record found on line 17061
BRANCH 81 80
Duplicate atom serial number found: 80
Ignored bad PDB record found on line 17063
BRANCH 80 79
Duplicate atom serial number found: 69
Duplicate atom serial number found: 70
Duplicate atom serial number found: 79
Duplicate atom serial number found: 86
Ignored bad PDB record found on line 17068
BRANCH 69 68
Duplicate atom serial number found: 68
Ignored bad PDB record found on line 17070
BRANCH 68 67
Duplicate atom serial number found: 59
Duplicate atom serial number found: 60
Duplicate atom serial number found: 67
Duplicate atom serial number found: 77
Ignored bad PDB record found on line 17075
BRANCH 59 58
Duplicate atom serial number found: 58
Ignored bad PDB record found on line 17077
BRANCH 58 57
Duplicate atom serial number found: 50
Duplicate atom serial number found: 51
Duplicate atom serial number found: 57
Duplicate atom serial number found: 66
Ignored bad PDB record found on line 17082
BRANCH 50 49
Duplicate atom serial number found: 49
Ignored bad PDB record found on line 17084
BRANCH 49 48
Duplicate atom serial number found: 42
Duplicate atom serial number found: 43
Duplicate atom serial number found: 48
Duplicate atom serial number found: 56
Ignored bad PDB record found on line 17089
BRANCH 42 41
Duplicate atom serial number found: 41
Ignored bad PDB record found on line 17091
BRANCH 41 40
Duplicate atom serial number found: 32
Duplicate atom serial number found: 33
Duplicate atom serial number found: 40
Duplicate atom serial number found: 47
Ignored bad PDB record found on line 17096
BRANCH 32 31
Duplicate atom serial number found: 31
Ignored bad PDB record found on line 17098
BRANCH 31 30
Duplicate atom serial number found: 22
Duplicate atom serial number found: 23
Duplicate atom serial number found: 30
Duplicate atom serial number found: 39
Ignored bad PDB record found on line 17103
BRANCH 22 21
Duplicate atom serial number found: 21
Ignored bad PDB record found on line 17105
BRANCH 21 20
Duplicate atom serial number found: 15
Duplicate atom serial number found: 16
Duplicate atom serial number found: 20
Duplicate atom serial number found: 29
Ignored bad PDB record found on line 17110
BRANCH 15 14
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 13
Duplicate atom serial number found: 14
Duplicate atom serial number found: 17
2 messages similar to the above omitted
Ignored bad PDB record found on line 17118
BRANCH 3 2
Duplicate atom serial number found: 2
Ignored bad PDB record found on line 17120
BRANCH 2 1
Duplicate atom serial number found: 1
Duplicate atom serial number found: 12
Ignored bad PDB record found on line 17123
ENDBRANCH 2 1
Ignored bad PDB record found on line 17124
BRANCH 2 5
Duplicate atom serial number found: 5
Ignored bad PDB record found on line 17126
BRANCH 5 6
Duplicate atom serial number found: 6
Duplicate atom serial number found: 7
Duplicate atom serial number found: 8
Duplicate atom serial number found: 9
Duplicate atom serial number found: 10
1 messages similar to the above omitted
Ignored bad PDB record found on line 17133
ENDBRANCH 5 6
Ignored bad PDB record found on line 17134
ENDBRANCH 2 5
Ignored bad PDB record found on line 17135
ENDBRANCH 3 2
Ignored bad PDB record found on line 17136
ENDBRANCH 15 14
Ignored bad PDB record found on line 17137
ENDBRANCH 21 20
1 messages similar to the above omitted
Duplicate atom serial number found: 24
Ignored bad PDB record found on line 17140
BRANCH 24 25
Duplicate atom serial number found: 25
Ignored bad PDB record found on line 17142
BRANCH 25 26
Duplicate atom serial number found: 26
Duplicate atom serial number found: 27
Duplicate atom serial number found: 28
Ignored bad PDB record found on line 17146
ENDBRANCH 25 26
Ignored bad PDB record found on line 17147
ENDBRANCH 24 25
Ignored bad PDB record found on line 17148
ENDBRANCH 21 24
Ignored bad PDB record found on line 17149
ENDBRANCH 22 21
Ignored bad PDB record found on line 17150
ENDBRANCH 31 30
1 messages similar to the above omitted
Duplicate atom serial number found: 34
Ignored bad PDB record found on line 17153
BRANCH 34 35
Duplicate atom serial number found: 35
Ignored bad PDB record found on line 17155
BRANCH 35 36
Duplicate atom serial number found: 36
Duplicate atom serial number found: 37
Duplicate atom serial number found: 38
Ignored bad PDB record found on line 17159
ENDBRANCH 35 36
Ignored bad PDB record found on line 17160
ENDBRANCH 34 35
Ignored bad PDB record found on line 17161
ENDBRANCH 31 34
Ignored bad PDB record found on line 17162
ENDBRANCH 32 31
Ignored bad PDB record found on line 17163
ENDBRANCH 41 40
1 messages similar to the above omitted
Duplicate atom serial number found: 44
Duplicate atom serial number found: 45
Duplicate atom serial number found: 46
Ignored bad PDB record found on line 17168
ENDBRANCH 41 44
Ignored bad PDB record found on line 17169
ENDBRANCH 42 41
Ignored bad PDB record found on line 17170
ENDBRANCH 49 48
Ignored bad PDB record found on line 17171
BRANCH 49 52
Duplicate atom serial number found: 52
Ignored bad PDB record found on line 17173
BRANCH 52 53
Duplicate atom serial number found: 53
Duplicate atom serial number found: 54
Duplicate atom serial number found: 55
Ignored bad PDB record found on line 17177
ENDBRANCH 52 53
Ignored bad PDB record found on line 17178
ENDBRANCH 49 52
Ignored bad PDB record found on line 17179
ENDBRANCH 50 49
Ignored bad PDB record found on line 17180
ENDBRANCH 58 57
Ignored bad PDB record found on line 17181
BRANCH 58 61
Duplicate atom serial number found: 61
Ignored bad PDB record found on line 17183
BRANCH 61 62
Duplicate atom serial number found: 62
Ignored bad PDB record found on line 17185
BRANCH 62 63
Duplicate atom serial number found: 63
Duplicate atom serial number found: 64
Duplicate atom serial number found: 65
Ignored bad PDB record found on line 17189
ENDBRANCH 62 63
Ignored bad PDB record found on line 17190
ENDBRANCH 61 62
Ignored bad PDB record found on line 17191
ENDBRANCH 58 61
Ignored bad PDB record found on line 17192
ENDBRANCH 59 58
Ignored bad PDB record found on line 17193
ENDBRANCH 68 67
1 messages similar to the above omitted
Duplicate atom serial number found: 71
Ignored bad PDB record found on line 17196
BRANCH 71 72
Duplicate atom serial number found: 72
Duplicate atom serial number found: 73
Duplicate atom serial number found: 74
Duplicate atom serial number found: 75
Duplicate atom serial number found: 76
1 messages similar to the above omitted
Ignored bad PDB record found on line 17203
ENDBRANCH 71 72
Ignored bad PDB record found on line 17204
ENDBRANCH 68 71
Ignored bad PDB record found on line 17205
ENDBRANCH 69 68
Ignored bad PDB record found on line 17206
ENDBRANCH 80 79
Ignored bad PDB record found on line 17207
BRANCH 80 83
Duplicate atom serial number found: 83
Duplicate atom serial number found: 84
Duplicate atom serial number found: 85
Ignored bad PDB record found on line 17211
ENDBRANCH 80 83
Ignored bad PDB record found on line 17212
ENDBRANCH 81 80
Ignored bad PDB record found on line 17213
ENDBRANCH 88 87
Ignored bad PDB record found on line 17214
BRANCH 88 91
Duplicate atom serial number found: 91
Ignored bad PDB record found on line 17216
BRANCH 91 92
Duplicate atom serial number found: 92
Duplicate atom serial number found: 93
Duplicate atom serial number found: 94
Duplicate atom serial number found: 95
Duplicate atom serial number found: 96
1 messages similar to the above omitted
Ignored bad PDB record found on line 17223
ENDBRANCH 91 92
Ignored bad PDB record found on line 17224
ENDBRANCH 88 91
Ignored bad PDB record found on line 17225
ENDBRANCH 89 88
Ignored bad PDB record found on line 17226
ENDBRANCH 100 99
Ignored bad PDB record found on line 17227
BRANCH 100 103
Duplicate atom serial number found: 103
Ignored bad PDB record found on line 17229
BRANCH 103 104
Duplicate atom serial number found: 104
Duplicate atom serial number found: 106
Ignored bad PDB record found on line 17232
ENDBRANCH 103 104
Ignored bad PDB record found on line 17233
ENDBRANCH 100 103
Ignored bad PDB record found on line 17234
ENDBRANCH 101 100
Ignored bad PDB record found on line 17235
ENDBRANCH 108 107
Ignored bad PDB record found on line 17236
BRANCH 108 111
Duplicate atom serial number found: 111
Ignored bad PDB record found on line 17238
BRANCH 111 112
Duplicate atom serial number found: 112
Duplicate atom serial number found: 113
Duplicate atom serial number found: 114
Duplicate atom serial number found: 115
Duplicate atom serial number found: 116
1 messages similar to the above omitted
Ignored bad PDB record found on line 17245
ENDBRANCH 111 112
Ignored bad PDB record found on line 17246
ENDBRANCH 108 111
Ignored bad PDB record found on line 17247
ENDBRANCH 109 108
Ignored bad PDB record found on line 17248
ENDBRANCH 120 119
Ignored bad PDB record found on line 17249
BRANCH 120 123
Duplicate atom serial number found: 123
Duplicate atom serial number found: 125
Ignored bad PDB record found on line 17252
BRANCH 123 124
Duplicate atom serial number found: 124
Duplicate atom serial number found: 126
Ignored bad PDB record found on line 17255
ENDBRANCH 123 124
Ignored bad PDB record found on line 17256
ENDBRANCH 120 123
Ignored bad PDB record found on line 17257
ENDBRANCH 121 120
Ignored bad PDB record found on line 17258
ENDBRANCH 129 128
Ignored bad PDB record found on line 17259
BRANCH 129 132
Duplicate atom serial number found: 132
Ignored bad PDB record found on line 17261
BRANCH 132 133
Duplicate atom serial number found: 133
Ignored bad PDB record found on line 17263
BRANCH 133 134
Duplicate atom serial number found: 134
Duplicate atom serial number found: 135
Duplicate atom serial number found: 136
Duplicate atom serial number found: 138
Duplicate atom serial number found: 139
Ignored bad PDB record found on line 17269
ENDBRANCH 133 134
Ignored bad PDB record found on line 17270
ENDBRANCH 132 133
Ignored bad PDB record found on line 17271
ENDBRANCH 129 132
Ignored bad PDB record found on line 17272
ENDBRANCH 130 129
Ignored bad PDB record found on line 17273
ENDBRANCH 141 140
1 messages similar to the above omitted
Duplicate atom serial number found: 144
Ignored bad PDB record found on line 17276
BRANCH 144 145
Duplicate atom serial number found: 145
Duplicate atom serial number found: 146
Duplicate atom serial number found: 147
Ignored bad PDB record found on line 17280
ENDBRANCH 144 145
Ignored bad PDB record found on line 17281
ENDBRANCH 141 144
Ignored bad PDB record found on line 17282
ENDBRANCH 142 141
Ignored bad PDB record found on line 17283
ENDBRANCH 150 149
Ignored bad PDB record found on line 17284
BRANCH 150 153
Duplicate atom serial number found: 153
Ignored bad PDB record found on line 17286
BRANCH 153 154
Duplicate atom serial number found: 154
Duplicate atom serial number found: 155
Duplicate atom serial number found: 156
Ignored bad PDB record found on line 17290
ENDBRANCH 153 154
Ignored bad PDB record found on line 17291
ENDBRANCH 150 153
Ignored bad PDB record found on line 17292
ENDBRANCH 151 150
Ignored bad PDB record found on line 17293
ENDBRANCH 159 158
Ignored bad PDB record found on line 17294
BRANCH 159 162
Duplicate atom serial number found: 162
Ignored bad PDB record found on line 17296
BRANCH 162 163
Duplicate atom serial number found: 163
Ignored bad PDB record found on line 17298
BRANCH 163 164
Duplicate atom serial number found: 164
Ignored bad PDB record found on line 17300
BRANCH 164 165
Duplicate atom serial number found: 165
Ignored bad PDB record found on line 17302
BRANCH 165 166
Duplicate atom serial number found: 166
Duplicate atom serial number found: 168
Duplicate atom serial number found: 169
Duplicate atom serial number found: 170
Ignored bad PDB record found on line 17307
ENDBRANCH 165 166
Ignored bad PDB record found on line 17308
ENDBRANCH 164 165
Ignored bad PDB record found on line 17309
ENDBRANCH 163 164
Ignored bad PDB record found on line 17310
ENDBRANCH 162 163
Ignored bad PDB record found on line 17311
ENDBRANCH 159 162
3 messages similar to the above omitted
Duplicate atom serial number found: 175
Ignored bad PDB record found on line 17316
BRANCH 175 176
Duplicate atom serial number found: 176
Duplicate atom serial number found: 177
Duplicate atom serial number found: 178
Ignored bad PDB record found on line 17320
ENDBRANCH 175 176
Ignored bad PDB record found on line 17321
ENDBRANCH 172 175
Ignored bad PDB record found on line 17322
ENDBRANCH 173 172
Ignored bad PDB record found on line 17323
ENDBRANCH 181 180
Ignored bad PDB record found on line 17324
BRANCH 181 184
Duplicate atom serial number found: 184
Ignored bad PDB record found on line 17326
BRANCH 184 185
Duplicate atom serial number found: 185
Ignored bad PDB record found on line 17328
BRANCH 185 186
Duplicate atom serial number found: 186
Ignored bad PDB record found on line 17330
BRANCH 186 187
Duplicate atom serial number found: 187
Duplicate atom serial number found: 188
Duplicate atom serial number found: 189
Duplicate atom serial number found: 190
Duplicate atom serial number found: 192
4 messages similar to the above omitted
Ignored bad PDB record found on line 17340
ENDBRANCH 186 187
Ignored bad PDB record found on line 17341
ENDBRANCH 185 186
Ignored bad PDB record found on line 17342
ENDBRANCH 184 185
Ignored bad PDB record found on line 17343
ENDBRANCH 181 184
Ignored bad PDB record found on line 17344
ENDBRANCH 182 181
2 messages similar to the above omitted
Duplicate atom serial number found: 201
Ignored bad PDB record found on line 17348
BRANCH 201 202
Duplicate atom serial number found: 202
Duplicate atom serial number found: 203
Duplicate atom serial number found: 204
Duplicate atom serial number found: 206
Duplicate atom serial number found: 207
Ignored bad PDB record found on line 17354
ENDBRANCH 201 202
Ignored bad PDB record found on line 17355
ENDBRANCH 198 201
Ignored bad PDB record found on line 17356
ENDBRANCH 199 198
Ignored bad PDB record found on line 17357
ENDBRANCH 209 208
Ignored bad PDB record found on line 17358
BRANCH 209 212
Duplicate atom serial number found: 212
Ignored bad PDB record found on line 17360
BRANCH 212 213
Duplicate atom serial number found: 213
Duplicate atom serial number found: 215
Ignored bad PDB record found on line 17363
ENDBRANCH 212 213
Ignored bad PDB record found on line 17364
ENDBRANCH 209 212
Ignored bad PDB record found on line 17365
ENDBRANCH 210 209
Ignored bad PDB record found on line 17366
ENDBRANCH 217 216
Ignored bad PDB record found on line 17367
BRANCH 217 220
Duplicate atom serial number found: 220
Duplicate atom serial number found: 221
Duplicate atom serial number found: 222
Ignored bad PDB record found on line 17371
ENDBRANCH 217 220
Ignored bad PDB record found on line 17372
ENDBRANCH 218 217
Ignored bad PDB record found on line 17373
ENDBRANCH 225 224
Ignored bad PDB record found on line 17374
BRANCH 225 228
Duplicate atom serial number found: 228
Ignored bad PDB record found on line 17376
BRANCH 228 229
Duplicate atom serial number found: 229
Duplicate atom serial number found: 231
Ignored bad PDB record found on line 17379
ENDBRANCH 228 229
Ignored bad PDB record found on line 17380
ENDBRANCH 225 228
Ignored bad PDB record found on line 17381
ENDBRANCH 226 225
Ignored bad PDB record found on line 17382
ENDBRANCH 233 232
Ignored bad PDB record found on line 17383
BRANCH 233 236
Duplicate atom serial number found: 236
Ignored bad PDB record found on line 17385
BRANCH 236 237
Duplicate atom serial number found: 237
Duplicate atom serial number found: 238
Duplicate atom serial number found: 239
Ignored bad PDB record found on line 17389
ENDBRANCH 236 237
Ignored bad PDB record found on line 17390
ENDBRANCH 233 236
Ignored bad PDB record found on line 17391
ENDBRANCH 234 233
Ignored bad PDB record found on line 17392
ENDBRANCH 242 241
Ignored bad PDB record found on line 17393
BRANCH 242 245
Duplicate atom serial number found: 245
Duplicate atom serial number found: 246
Duplicate atom serial number found: 247
Ignored bad PDB record found on line 17397
ENDBRANCH 242 245
Ignored bad PDB record found on line 17398
ENDBRANCH 243 242
Ignored bad PDB record found on line 17399
ENDBRANCH 250 249
Ignored bad PDB record found on line 17400
BRANCH 250 253
Duplicate atom serial number found: 253
Ignored bad PDB record found on line 17402
BRANCH 253 254
Duplicate atom serial number found: 254
Duplicate atom serial number found: 256
Ignored bad PDB record found on line 17405
ENDBRANCH 253 254
Ignored bad PDB record found on line 17406
ENDBRANCH 250 253
Ignored bad PDB record found on line 17407
ENDBRANCH 251 250
Ignored bad PDB record found on line 17408
ENDBRANCH 258 257
Ignored bad PDB record found on line 17409
BRANCH 258 261
Duplicate atom serial number found: 261
Ignored bad PDB record found on line 17411
BRANCH 261 262
Duplicate atom serial number found: 262
Ignored bad PDB record found on line 17413
BRANCH 262 263
Duplicate atom serial number found: 263
Ignored bad PDB record found on line 17415
BRANCH 263 264
Duplicate atom serial number found: 264
Ignored bad PDB record found on line 17417
BRANCH 264 265
Duplicate atom serial number found: 265
Duplicate atom serial number found: 267
Duplicate atom serial number found: 268
Duplicate atom serial number found: 269
Ignored bad PDB record found on line 17422
ENDBRANCH 264 265
Ignored bad PDB record found on line 17423
ENDBRANCH 263 264
Ignored bad PDB record found on line 17424
ENDBRANCH 262 263
Ignored bad PDB record found on line 17425
ENDBRANCH 261 262
Ignored bad PDB record found on line 17426
ENDBRANCH 258 261
3 messages similar to the above omitted
Duplicate atom serial number found: 274
Ignored bad PDB record found on line 17431
BRANCH 274 275
Duplicate atom serial number found: 275
Duplicate atom serial number found: 277
Ignored bad PDB record found on line 17434
ENDBRANCH 274 275
Ignored bad PDB record found on line 17435
ENDBRANCH 271 274
Ignored bad PDB record found on line 17436
ENDBRANCH 272 271
Ignored bad PDB record found on line 17437
ENDBRANCH 279 278
Ignored bad PDB record found on line 17438
BRANCH 279 282
Duplicate atom serial number found: 282
Ignored bad PDB record found on line 17440
BRANCH 282 283
Duplicate atom serial number found: 283
Duplicate atom serial number found: 284
Duplicate atom serial number found: 285
Duplicate atom serial number found: 286
Duplicate atom serial number found: 287
5 messages similar to the above omitted
Ignored bad PDB record found on line 17451
ENDBRANCH 282 283
Ignored bad PDB record found on line 17452
ENDBRANCH 279 282
Ignored bad PDB record found on line 17453
ENDBRANCH 280 279
Ignored bad PDB record found on line 17454
ENDBRANCH 295 294
Ignored bad PDB record found on line 17455
BRANCH 295 298
Duplicate atom serial number found: 298
Ignored bad PDB record found on line 17457
BRANCH 298 299
Duplicate atom serial number found: 299
Duplicate atom serial number found: 300
Duplicate atom serial number found: 301
Duplicate atom serial number found: 302
Duplicate atom serial number found: 303
1 messages similar to the above omitted
Ignored bad PDB record found on line 17464
BRANCH 304 305
Duplicate atom serial number found: 305
Duplicate atom serial number found: 307
Ignored bad PDB record found on line 17467
ENDBRANCH 304 305
Ignored bad PDB record found on line 17468
ENDBRANCH 298 299
Ignored bad PDB record found on line 17469
ENDBRANCH 295 298
Ignored bad PDB record found on line 17470
ENDBRANCH 296 295
Ignored bad PDB record found on line 17471
ENDBRANCH 309 308
1 messages similar to the above omitted
Duplicate atom serial number found: 312
Ignored bad PDB record found on line 17474
BRANCH 312 313
Duplicate atom serial number found: 313
Ignored bad PDB record found on line 17476
BRANCH 313 314
Duplicate atom serial number found: 314
Duplicate atom serial number found: 315
Duplicate atom serial number found: 316
Ignored bad PDB record found on line 17480
ENDBRANCH 313 314
Ignored bad PDB record found on line 17481
ENDBRANCH 312 313
Ignored bad PDB record found on line 17482
ENDBRANCH 309 312
Ignored bad PDB record found on line 17483
ENDBRANCH 310 309
Ignored bad PDB record found on line 17484
ENDBRANCH 319 318
1 messages similar to the above omitted
Duplicate atom serial number found: 322
Duplicate atom serial number found: 324
Ignored bad PDB record found on line 17488
BRANCH 322 323
Duplicate atom serial number found: 323
Duplicate atom serial number found: 325
Ignored bad PDB record found on line 17491
ENDBRANCH 322 323
Ignored bad PDB record found on line 17492
ENDBRANCH 319 322
Ignored bad PDB record found on line 17493
ENDBRANCH 320 319
Ignored bad PDB record found on line 17494
ENDBRANCH 328 327
Ignored bad PDB record found on line 17495
BRANCH 328 331
Duplicate atom serial number found: 331
Ignored bad PDB record found on line 17497
BRANCH 331 332
Duplicate atom serial number found: 332
Ignored bad PDB record found on line 17499
BRANCH 332 333
Duplicate atom serial number found: 333
Duplicate atom serial number found: 334
Duplicate atom serial number found: 335
Ignored bad PDB record found on line 17503
ENDBRANCH 332 333
Ignored bad PDB record found on line 17504
ENDBRANCH 331 332
Ignored bad PDB record found on line 17505
ENDBRANCH 328 331
Ignored bad PDB record found on line 17506
ENDBRANCH 329 328
Ignored bad PDB record found on line 17507
ENDBRANCH 338 337
1 messages similar to the above omitted
Duplicate atom serial number found: 341
Ignored bad PDB record found on line 17510
BRANCH 341 342
Duplicate atom serial number found: 342
Ignored bad PDB record found on line 17512
BRANCH 342 343
Duplicate atom serial number found: 343
Ignored bad PDB record found on line 17514
BRANCH 343 344
Duplicate atom serial number found: 344
Duplicate atom serial number found: 345
Duplicate atom serial number found: 346
Duplicate atom serial number found: 347
Duplicate atom serial number found: 349
4 messages similar to the above omitted
Ignored bad PDB record found on line 17524
ENDBRANCH 343 344
Ignored bad PDB record found on line 17525
ENDBRANCH 342 343
Ignored bad PDB record found on line 17526
ENDBRANCH 341 342
Ignored bad PDB record found on line 17527
ENDBRANCH 338 341
Ignored bad PDB record found on line 17528
ENDBRANCH 339 338
2 messages similar to the above omitted
Duplicate atom serial number found: 358
Ignored bad PDB record found on line 17532
BRANCH 358 359
Duplicate atom serial number found: 359
Duplicate atom serial number found: 360
Duplicate atom serial number found: 361
Duplicate atom serial number found: 362
Duplicate atom serial number found: 363
5 messages similar to the above omitted
Ignored bad PDB record found on line 17543
ENDBRANCH 358 359
Ignored bad PDB record found on line 17544
ENDBRANCH 355 358
Ignored bad PDB record found on line 17545
ENDBRANCH 356 355
Ignored bad PDB record found on line 17546
ENDBRANCH 371 370
Ignored bad PDB record found on line 17547
BRANCH 371 374
Duplicate atom serial number found: 374
Ignored bad PDB record found on line 17549
BRANCH 374 375
Duplicate atom serial number found: 375
Duplicate atom serial number found: 377
Ignored bad PDB record found on line 17552
ENDBRANCH 374 375
Ignored bad PDB record found on line 17553
ENDBRANCH 371 374
Ignored bad PDB record found on line 17554
ENDBRANCH 372 371
Ignored bad PDB record found on line 17555
ENDBRANCH 379 378
Ignored bad PDB record found on line 17556
BRANCH 379 382
Duplicate atom serial number found: 382
Ignored bad PDB record found on line 17558
BRANCH 382 383
Duplicate atom serial number found: 383
Ignored bad PDB record found on line 17560
BRANCH 383 384
Duplicate atom serial number found: 384
Ignored bad PDB record found on line 17562
BRANCH 384 385
Duplicate atom serial number found: 385
Duplicate atom serial number found: 386
Duplicate atom serial number found: 387
Duplicate atom serial number found: 388
Duplicate atom serial number found: 390
4 messages similar to the above omitted
Ignored bad PDB record found on line 17572
ENDBRANCH 384 385
Ignored bad PDB record found on line 17573
ENDBRANCH 383 384
Ignored bad PDB record found on line 17574
ENDBRANCH 382 383
Ignored bad PDB record found on line 17575
ENDBRANCH 379 382
Ignored bad PDB record found on line 17576
ENDBRANCH 380 379
2 messages similar to the above omitted
Duplicate atom serial number found: 399
Ignored bad PDB record found on line 17580
BRANCH 399 400
Duplicate atom serial number found: 400
Ignored bad PDB record found on line 17582
BRANCH 400 401
Duplicate atom serial number found: 401
Ignored bad PDB record found on line 17584
BRANCH 401 402
Duplicate atom serial number found: 402
Duplicate atom serial number found: 403
Duplicate atom serial number found: 404
Duplicate atom serial number found: 405
Duplicate atom serial number found: 407
4 messages similar to the above omitted
Ignored bad PDB record found on line 17594
ENDBRANCH 401 402
Ignored bad PDB record found on line 17595
ENDBRANCH 400 401
Ignored bad PDB record found on line 17596
ENDBRANCH 399 400
Ignored bad PDB record found on line 17597
ENDBRANCH 396 399
Ignored bad PDB record found on line 17598
ENDBRANCH 397 396
2 messages similar to the above omitted
Duplicate atom serial number found: 416
Ignored bad PDB record found on line 17602
BRANCH 416 417
Duplicate atom serial number found: 417
Ignored bad PDB record found on line 17604
BRANCH 417 418
Duplicate atom serial number found: 418
Ignored bad PDB record found on line 17606
BRANCH 418 419
Duplicate atom serial number found: 419
Ignored bad PDB record found on line 17608
BRANCH 419 420
Duplicate atom serial number found: 420
Duplicate atom serial number found: 422
Duplicate atom serial number found: 423
Duplicate atom serial number found: 424
Ignored bad PDB record found on line 17613
ENDBRANCH 419 420
Ignored bad PDB record found on line 17614
ENDBRANCH 418 419
Ignored bad PDB record found on line 17615
ENDBRANCH 417 418
Ignored bad PDB record found on line 17616
ENDBRANCH 416 417
Ignored bad PDB record found on line 17617
ENDBRANCH 413 416
3 messages similar to the above omitted
Duplicate atom serial number found: 429
Duplicate atom serial number found: 430
Duplicate atom serial number found: 431
Ignored bad PDB record found on line 17624
ENDBRANCH 426 429
Ignored bad PDB record found on line 17625
ENDBRANCH 427 426
Ignored bad PDB record found on line 17626
ENDBRANCH 434 433
Ignored bad PDB record found on line 17627
BRANCH 434 437
Duplicate atom serial number found: 437
Ignored bad PDB record found on line 17629
BRANCH 437 438
Duplicate atom serial number found: 438
Duplicate atom serial number found: 439
Duplicate atom serial number found: 440
Duplicate atom serial number found: 441
Duplicate atom serial number found: 442
1 messages similar to the above omitted
Ignored bad PDB record found on line 17636
ENDBRANCH 437 438
Ignored bad PDB record found on line 17637
ENDBRANCH 434 437
Ignored bad PDB record found on line 17638
ENDBRANCH 435 434
Ignored bad PDB record found on line 17639
ENDBRANCH 446 445
Ignored bad PDB record found on line 17640
BRANCH 446 449
Duplicate atom serial number found: 449
Duplicate atom serial number found: 451
Ignored bad PDB record found on line 17643
BRANCH 449 450
Duplicate atom serial number found: 450
Duplicate atom serial number found: 452
Ignored bad PDB record found on line 17646
ENDBRANCH 449 450
Ignored bad PDB record found on line 17647
ENDBRANCH 446 449
Ignored bad PDB record found on line 17648
ENDBRANCH 447 446
Ignored bad PDB record found on line 17649
ENDBRANCH 455 454
Ignored bad PDB record found on line 17650
ENDBRANCH 456 455
2 messages similar to the above omitted
Duplicate atom serial number found: 463
Ignored bad PDB record found on line 17654
BRANCH 463 464
Duplicate atom serial number found: 464
Duplicate atom serial number found: 465
Duplicate atom serial number found: 466
Duplicate atom serial number found: 468
Duplicate atom serial number found: 469
Ignored bad PDB record found on line 17660
ENDBRANCH 463 464
Ignored bad PDB record found on line 17661
ENDBRANCH 460 463
Ignored bad PDB record found on line 17662
ENDBRANCH 461 460
Ignored bad PDB record found on line 17663
ENDBRANCH 471 470
Ignored bad PDB record found on line 17664
BRANCH 471 474
Duplicate atom serial number found: 474
Ignored bad PDB record found on line 17666
BRANCH 474 475
Duplicate atom serial number found: 475
Duplicate atom serial number found: 477
Ignored bad PDB record found on line 17669
ENDBRANCH 474 475
Ignored bad PDB record found on line 17670
ENDBRANCH 471 474
Ignored bad PDB record found on line 17671
ENDBRANCH 472 471
Ignored bad PDB record found on line 17672
ENDBRANCH 479 478
Ignored bad PDB record found on line 17673
BRANCH 479 482
Duplicate atom serial number found: 482
Ignored bad PDB record found on line 17675
BRANCH 482 483
Duplicate atom serial number found: 483
Duplicate atom serial number found: 484
Duplicate atom serial number found: 485
Duplicate atom serial number found: 486
Duplicate atom serial number found: 487
1 messages similar to the above omitted
Ignored bad PDB record found on line 17682
BRANCH 488 489
Duplicate atom serial number found: 489
Duplicate atom serial number found: 491
Ignored bad PDB record found on line 17685
ENDBRANCH 488 489
Ignored bad PDB record found on line 17686
ENDBRANCH 482 483
Ignored bad PDB record found on line 17687
ENDBRANCH 479 482
Ignored bad PDB record found on line 17688
ENDBRANCH 480 479
Ignored bad PDB record found on line 17689
ENDBRANCH 493 492
3 messages similar to the above omitted
Duplicate atom serial number found: 502
Duplicate atom serial number found: 503
Duplicate atom serial number found: 504
Ignored bad PDB record found on line 17696
ENDBRANCH 499 502
Ignored bad PDB record found on line 17697
ENDBRANCH 500 499
Ignored bad PDB record found on line 17698
ENDBRANCH 507 506
Ignored bad PDB record found on line 17699
BRANCH 507 510
Duplicate atom serial number found: 510
Ignored bad PDB record found on line 17701
BRANCH 510 511
Duplicate atom serial number found: 511
Duplicate atom serial number found: 513
Ignored bad PDB record found on line 17704
ENDBRANCH 510 511
Ignored bad PDB record found on line 17705
ENDBRANCH 507 510
Ignored bad PDB record found on line 17706
ENDBRANCH 508 507
Ignored bad PDB record found on line 17707
ENDBRANCH 516 515
Ignored bad PDB record found on line 17708
ENDBRANCH 522 521
3 messages similar to the above omitted
Duplicate atom serial number found: 531
Duplicate atom serial number found: 533
Ignored bad PDB record found on line 17714
BRANCH 531 532
Duplicate atom serial number found: 532
Duplicate atom serial number found: 535
Ignored bad PDB record found on line 17717
ENDBRANCH 531 532
Ignored bad PDB record found on line 17718
ENDBRANCH 528 531
Ignored bad PDB record found on line 17719
ENDBRANCH 529 528
Ignored bad PDB record found on line 17720
ENDBRANCH 537 536
Ignored bad PDB record found on line 17721
BRANCH 537 540
Duplicate atom serial number found: 540
Duplicate atom serial number found: 541
Duplicate atom serial number found: 542
Ignored bad PDB record found on line 17725
ENDBRANCH 537 540
Ignored bad PDB record found on line 17726
ENDBRANCH 538 537
Ignored bad PDB record found on line 17727
ENDBRANCH 545 544
Ignored bad PDB record found on line 17728
BRANCH 545 548
Duplicate atom serial number found: 548
Duplicate atom serial number found: 550
Ignored bad PDB record found on line 17731
BRANCH 548 549
Duplicate atom serial number found: 549
Duplicate atom serial number found: 551
Ignored bad PDB record found on line 17734
ENDBRANCH 548 549
Ignored bad PDB record found on line 17735
ENDBRANCH 545 548
Ignored bad PDB record found on line 17736
ENDBRANCH 546 545
Ignored bad PDB record found on line 17737
ENDBRANCH 554 553
Ignored bad PDB record found on line 17738
BRANCH 554 557
Duplicate atom serial number found: 557
Ignored bad PDB record found on line 17740
BRANCH 557 558
Duplicate atom serial number found: 558
Ignored bad PDB record found on line 17742
BRANCH 558 559
Duplicate atom serial number found: 559
Ignored bad PDB record found on line 17744
BRANCH 559 560
Duplicate atom serial number found: 560
Duplicate atom serial number found: 561
Duplicate atom serial number found: 562
Duplicate atom serial number found: 563
Duplicate atom serial number found: 565
4 messages similar to the above omitted
Ignored bad PDB record found on line 17754
ENDBRANCH 559 560
Ignored bad PDB record found on line 17755
ENDBRANCH 558 559
Ignored bad PDB record found on line 17756
ENDBRANCH 557 558
Ignored bad PDB record found on line 17757
ENDBRANCH 554 557
Ignored bad PDB record found on line 17758
ENDBRANCH 555 554
2 messages similar to the above omitted
Duplicate atom serial number found: 574
Ignored bad PDB record found on line 17762
BRANCH 574 575
Duplicate atom serial number found: 575
Ignored bad PDB record found on line 17764
BRANCH 575 576
Duplicate atom serial number found: 576
Ignored bad PDB record found on line 17766
BRANCH 576 577
Duplicate atom serial number found: 577
Duplicate atom serial number found: 578
Duplicate atom serial number found: 579
Duplicate atom serial number found: 580
Duplicate atom serial number found: 582
4 messages similar to the above omitted
Ignored bad PDB record found on line 17776
ENDBRANCH 576 577
Ignored bad PDB record found on line 17777
ENDBRANCH 575 576
Ignored bad PDB record found on line 17778
ENDBRANCH 574 575
Ignored bad PDB record found on line 17779
ENDBRANCH 571 574
Ignored bad PDB record found on line 17780
ENDBRANCH 572 571
2 messages similar to the above omitted
Duplicate atom serial number found: 591
Ignored bad PDB record found on line 17784
BRANCH 591 592
Duplicate atom serial number found: 592
Duplicate atom serial number found: 593
Duplicate atom serial number found: 594
Duplicate atom serial number found: 595
Duplicate atom serial number found: 596
1 messages similar to the above omitted
Ignored bad PDB record found on line 17791
ENDBRANCH 591 592
Ignored bad PDB record found on line 17792
ENDBRANCH 588 591
Ignored bad PDB record found on line 17793
ENDBRANCH 589 588
Ignored bad PDB record found on line 17794
ENDBRANCH 601 600
Ignored bad PDB record found on line 17795
ENDBRANCH 607 606
1 messages similar to the above omitted
Duplicate atom serial number found: 610
Ignored bad PDB record found on line 17798
BRANCH 610 611
Duplicate atom serial number found: 611
Ignored bad PDB record found on line 17800
BRANCH 611 612
Duplicate atom serial number found: 612
Ignored bad PDB record found on line 17802
BRANCH 612 613
Duplicate atom serial number found: 613
Ignored bad PDB record found on line 17804
BRANCH 613 614
Duplicate atom serial number found: 614
Duplicate atom serial number found: 616
Duplicate atom serial number found: 617
Duplicate atom serial number found: 618
Ignored bad PDB record found on line 17809
ENDBRANCH 613 614
Ignored bad PDB record found on line 17810
ENDBRANCH 612 613
Ignored bad PDB record found on line 17811
ENDBRANCH 611 612
Ignored bad PDB record found on line 17812
ENDBRANCH 610 611
Ignored bad PDB record found on line 17813
ENDBRANCH 607 610
3 messages similar to the above omitted
Duplicate atom serial number found: 623
Duplicate atom serial number found: 624
Duplicate atom serial number found: 625
Ignored bad PDB record found on line 17820
ENDBRANCH 620 623
Ignored bad PDB record found on line 17821
ENDBRANCH 621 620
Ignored bad PDB record found on line 17822
ENDBRANCH 628 627
Ignored bad PDB record found on line 17823
BRANCH 628 631
Duplicate atom serial number found: 631
Ignored bad PDB record found on line 17825
BRANCH 631 632
Duplicate atom serial number found: 632
Ignored bad PDB record found on line 17827
BRANCH 632 633
Duplicate atom serial number found: 633
Ignored bad PDB record found on line 17829
BRANCH 633 634
Duplicate atom serial number found: 634
Duplicate atom serial number found: 635
Duplicate atom serial number found: 636
Duplicate atom serial number found: 637
Duplicate atom serial number found: 639
4 messages similar to the above omitted
Ignored bad PDB record found on line 17839
ENDBRANCH 633 634
Ignored bad PDB record found on line 17840
ENDBRANCH 632 633
Ignored bad PDB record found on line 17841
ENDBRANCH 631 632
Ignored bad PDB record found on line 17842
ENDBRANCH 628 631
Ignored bad PDB record found on line 17843
ENDBRANCH 629 628
2 messages similar to the above omitted
Duplicate atom serial number found: 648
Ignored bad PDB record found on line 17847
BRANCH 648 649
Duplicate atom serial number found: 649
Duplicate atom serial number found: 651
Ignored bad PDB record found on line 17850
ENDBRANCH 648 649
Ignored bad PDB record found on line 17851
ENDBRANCH 645 648
Ignored bad PDB record found on line 17852
ENDBRANCH 646 645
Ignored bad PDB record found on line 17853
ENDBRANCH 653 652
Ignored bad PDB record found on line 17854
BRANCH 653 656
Duplicate atom serial number found: 656
Duplicate atom serial number found: 657
Duplicate atom serial number found: 658
Ignored bad PDB record found on line 17858
ENDBRANCH 653 656
Ignored bad PDB record found on line 17859
ENDBRANCH 654 653
Ignored bad PDB record found on line 17860
ENDBRANCH 661 660
Ignored bad PDB record found on line 17861
BRANCH 661 664
Duplicate atom serial number found: 664
Ignored bad PDB record found on line 17863
BRANCH 664 665
Duplicate atom serial number found: 665
Ignored bad PDB record found on line 17865
BRANCH 665 666
Duplicate atom serial number found: 666
Duplicate atom serial number found: 667
Duplicate atom serial number found: 668
Ignored bad PDB record found on line 17869
ENDBRANCH 665 666
Ignored bad PDB record found on line 17870
ENDBRANCH 664 665
Ignored bad PDB record found on line 17871
ENDBRANCH 661 664
Ignored bad PDB record found on line 17872
ENDBRANCH 662 661
Ignored bad PDB record found on line 17873
ENDBRANCH 671 670
1 messages similar to the above omitted
Duplicate atom serial number found: 674
Ignored bad PDB record found on line 17876
BRANCH 674 675
Duplicate atom serial number found: 675
Duplicate atom serial number found: 676
Duplicate atom serial number found: 677
Ignored bad PDB record found on line 17880
ENDBRANCH 674 675
Ignored bad PDB record found on line 17881
ENDBRANCH 671 674
Ignored bad PDB record found on line 17882
ENDBRANCH 672 671
Ignored bad PDB record found on line 17883
ENDBRANCH 680 679
Ignored bad PDB record found on line 17884
BRANCH 680 683
Duplicate atom serial number found: 683
Ignored bad PDB record found on line 17886
BRANCH 683 684
Duplicate atom serial number found: 684
Ignored bad PDB record found on line 17888
BRANCH 684 685
Duplicate atom serial number found: 685
Ignored bad PDB record found on line 17890
BRANCH 685 686
Duplicate atom serial number found: 686
Ignored bad PDB record found on line 17892
BRANCH 686 687
Duplicate atom serial number found: 687
Duplicate atom serial number found: 689
Duplicate atom serial number found: 690
Duplicate atom serial number found: 691
Ignored bad PDB record found on line 17897
ENDBRANCH 686 687
Ignored bad PDB record found on line 17898
ENDBRANCH 685 686
Ignored bad PDB record found on line 17899
ENDBRANCH 684 685
Ignored bad PDB record found on line 17900
ENDBRANCH 683 684
Ignored bad PDB record found on line 17901
ENDBRANCH 680 683
5 messages similar to the above omitted
Duplicate atom serial number found: 701
Ignored bad PDB record found on line 17908
BRANCH 701 702
Duplicate atom serial number found: 702
Ignored bad PDB record found on line 17910
BRANCH 702 703
Duplicate atom serial number found: 703
Ignored bad PDB record found on line 17912
BRANCH 703 704
Duplicate atom serial number found: 704
Ignored bad PDB record found on line 17914
BRANCH 704 705
Duplicate atom serial number found: 705
Duplicate atom serial number found: 707
Duplicate atom serial number found: 708
Duplicate atom serial number found: 709
Ignored bad PDB record found on line 17919
ENDBRANCH 704 705
Ignored bad PDB record found on line 17920
ENDBRANCH 703 704
Ignored bad PDB record found on line 17921
ENDBRANCH 702 703
Ignored bad PDB record found on line 17922
ENDBRANCH 701 702
Ignored bad PDB record found on line 17923
ENDBRANCH 698 701
6713 messages similar to the above omitted
Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
1 messages similar to the above omitted
Ignored bad PDB record found on line 28290
ENDROOT
Ignored bad PDB record found on line 28291
BRANCH 1 7
Duplicate atom serial number found: 7
Ignored bad PDB record found on line 28293
BRANCH 7 8
Duplicate atom serial number found: 8
Duplicate atom serial number found: 9
Duplicate atom serial number found: 10
Duplicate atom serial number found: 11
Ignored bad PDB record found on line 28298
ENDBRANCH 7 8
Ignored bad PDB record found on line 28299
ENDBRANCH 1 7
Ignored bad PDB record found on line 28300
BRANCH 2 12
Duplicate atom serial number found: 12
Ignored bad PDB record found on line 28302
BRANCH 12 13
Duplicate atom serial number found: 13
Duplicate atom serial number found: 14
Duplicate atom serial number found: 16
Ignored bad PDB record found on line 28306
BRANCH 13 15
Duplicate atom serial number found: 15
Duplicate atom serial number found: 37
Ignored bad PDB record found on line 28309
ENDBRANCH 13 15
Ignored bad PDB record found on line 28310
ENDBRANCH 12 13
Ignored bad PDB record found on line 28311
ENDBRANCH 2 12
Ignored bad PDB record found on line 28312
BRANCH 3 17
Duplicate atom serial number found: 17
Ignored bad PDB record found on line 28314
BRANCH 17 18
Duplicate atom serial number found: 18
Duplicate atom serial number found: 19
Duplicate atom serial number found: 20
Duplicate atom serial number found: 21
Ignored bad PDB record found on line 28319
ENDBRANCH 17 18
Ignored bad PDB record found on line 28320
ENDBRANCH 3 17
Ignored bad PDB record found on line 28321
BRANCH 4 22
Duplicate atom serial number found: 22
Ignored bad PDB record found on line 28323
BRANCH 22 23
Duplicate atom serial number found: 23
Duplicate atom serial number found: 24
Duplicate atom serial number found: 25
Duplicate atom serial number found: 26
Ignored bad PDB record found on line 28328
ENDBRANCH 22 23
Ignored bad PDB record found on line 28329
ENDBRANCH 4 22
Ignored bad PDB record found on line 28330
BRANCH 5 27
Duplicate atom serial number found: 27
Ignored bad PDB record found on line 28332
BRANCH 27 28
Duplicate atom serial number found: 28
Duplicate atom serial number found: 29
Duplicate atom serial number found: 30
Duplicate atom serial number found: 31
Ignored bad PDB record found on line 28337
ENDBRANCH 27 28
Ignored bad PDB record found on line 28338
ENDBRANCH 5 27
Ignored bad PDB record found on line 28339
BRANCH 6 32
Duplicate atom serial number found: 32
Ignored bad PDB record found on line 28341
BRANCH 32 33
Duplicate atom serial number found: 33
Duplicate atom serial number found: 34
Duplicate atom serial number found: 35
Duplicate atom serial number found: 36
Ignored bad PDB record found on line 28346
ENDBRANCH 32 33
Ignored bad PDB record found on line 28347
ENDBRANCH 6 32
Ignored bad PDB record found on line 28348
TORSDOF 13
Chain information for verycleanreceptor.pdb #2
---
Chain | Description
A | No description available
Opened verycleanreceptor.pdbqt containing 1 structures (6711 atoms, 5573
bonds)
Computing secondary structure
> hide #!2 models
> close #2
> open "C:/Users/EVELYN/Downloads/Final Output Capstone/Best poses_Ligands of
> interests/receptor_69867 I3CA.pdb"
> hide #!1 models
> show #!1 models
> open "C:/Users/EVELYN/Downloads/Final Output Capstone/Best
> pose_69867_I3CA.pdb"
> hide #2 models
> show #2 models
> hide #3 models
> hide #2 models
> show #3 models
> close #3
> show #2 models
> close #2
> open "C:/Users/EVELYN/Downloads/Final Output Capstone/Test 14 Best Poses
> [Ace]/Test 14 Best Poses [Ace]/ICA_bp14.pdbqt"
Summary of feedback from opening C:/Users/EVELYN/Downloads/Final Output
Capstone/Test 14 Best Poses [Ace]/Test 14 Best Poses [Ace]/ICA_bp14.pdbqt
---
warnings | Ignored bad PDB record found on line 2
REMARK VINA RESULT: -6.9 0.000 0.000
Ignored bad PDB record found on line 3
REMARK Name = C:\Users\Ace V\Desktop\Dock\Vina14\procPYminI3CA.pdb
Ignored bad PDB record found on line 4
REMARK 2 active torsions:
Ignored bad PDB record found on line 5
REMARK status: ('A' for Active; 'I' for Inactive)
Ignored bad PDB record found on line 6
REMARK 1 A between atoms: O_1 and C_12
112 messages similar to the above omitted
Opened ICA_bp14.pdbqt containing 9 structures (126 atoms, 126 bonds)
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.11.dev202509050043\bin\Lib\site-
packages\chimerax\viewdock\tool.py", line 431, in table_selection_changed
self.update_model_description()
File "C:\Program Files\ChimeraX 1.11.dev202509050043\bin\Lib\site-
packages\chimerax\viewdock\tool.py", line 500, in update_model_description
if len(column_map[title].display_value(docking_structure)) > 20:
~~~~~~~~~~^^^^^^^
KeyError: 'RMSD l.b.'
KeyError: 'RMSD l.b.'
File "C:\Program Files\ChimeraX 1.11.dev202509050043\bin\Lib\site-
packages\chimerax\viewdock\tool.py", line 500, in update_model_description
if len(column_map[title].display_value(docking_structure)) > 20:
~~~~~~~~~~^^^^^^^
See log for complete Python traceback.
OpenGL version: 3.3.0 NVIDIA 577.03
OpenGL renderer: NVIDIA GeForce GTX 1650/PCIe/SSE2
OpenGL vendor: NVIDIA Corporation
Python: 3.11.9
Locale: en_PH.cp1252
Qt version: PyQt6 6.9.1, Qt 6.9.0
Qt runtime version: 6.9.1
Qt platform: windows
Manufacturer: HP
Model: Victus by HP Gaming Laptop 15-fb0xxx
OS: Microsoft Windows 11 Home Single Language (Build 26100)
Memory: 7,883,304,960
MaxProcessMemory: 137,438,953,344
CPU: 12 AMD Ryzen 5 5600H with Radeon Graphics
OSLanguage: en-US
Installed Packages:
alabaster: 1.0.0
appdirs: 1.4.4
asttokens: 3.0.0
babel: 2.17.0
beautifulsoup4: 4.13.5
blockdiag: 3.0.0
blosc2: 3.7.2
build: 1.3.0
certifi: 2025.8.3
cftime: 1.6.4.post1
charset-normalizer: 3.4.3
ChimeraX-AddCharge: 1.5.20
ChimeraX-AddH: 2.2.7
ChimeraX-AlignmentAlgorithms: 2.0.2
ChimeraX-AlignmentHdrs: 3.6.1
ChimeraX-AlignmentMatrices: 2.1
ChimeraX-Alignments: 3.0.2
ChimeraX-AlphaFold: 1.0.1
ChimeraX-AltlocExplorer: 1.1.2
ChimeraX-AmberInfo: 1.0
ChimeraX-Aniso: 1.3.2
ChimeraX-Arrays: 1.1
ChimeraX-Atomic: 1.60.16
ChimeraX-AtomicLibrary: 14.1.23
ChimeraX-AtomSearch: 2.0.1
ChimeraX-AxesPlanes: 2.4
ChimeraX-BasicActions: 1.1.3
ChimeraX-BILD: 1.0
ChimeraX-BlastProtein: 3.0.0
ChimeraX-Boltz: 1.1
ChimeraX-BondRot: 2.0.4
ChimeraX-BugReporter: 1.0.2
ChimeraX-BuildStructure: 2.13.1
ChimeraX-Bumps: 1.0
ChimeraX-BundleBuilder: 1.6.0
ChimeraX-ButtonPanel: 1.0.1
ChimeraX-CageBuilder: 1.0.1
ChimeraX-CellPack: 1.0
ChimeraX-Centroids: 1.4
ChimeraX-ChangeChains: 1.1
ChimeraX-CheckWaters: 1.5
ChimeraX-ChemGroup: 2.0.2
ChimeraX-Clashes: 2.3
ChimeraX-ColorActions: 1.0.5
ChimeraX-ColorGlobe: 1.0
ChimeraX-ColorKey: 1.5.8
ChimeraX-CommandLine: 1.3.0
ChimeraX-ConnectStructure: 2.0.1
ChimeraX-Contacts: 1.0.1
ChimeraX-Core: 1.11.dev202509050043
ChimeraX-CoreFormats: 1.2
ChimeraX-coulombic: 1.4.5
ChimeraX-Crosslinks: 1.0
ChimeraX-Crystal: 1.0
ChimeraX-CrystalContacts: 1.0.1
ChimeraX-DataFormats: 1.2.4
ChimeraX-Dicom: 1.2.7
ChimeraX-DistMonitor: 1.4.2
ChimeraX-DockPrep: 1.1.4
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: 1.4.1
ChimeraX-Hbonds: 2.5.3
ChimeraX-Help: 1.3
ChimeraX-HKCage: 1.3
ChimeraX-IHM: 1.1
ChimeraX-ImageFormats: 1.2
ChimeraX-IMOD: 1.0
ChimeraX-IO: 1.0.4
ChimeraX-ItemsInspection: 1.0.1
ChimeraX-IUPAC: 1.0
ChimeraX-KVFinder: 1.7.1
ChimeraX-Label: 1.2
ChimeraX-ListInfo: 1.2.2
ChimeraX-Log: 1.2
ChimeraX-LookingGlass: 1.1
ChimeraX-Maestro: 1.9.2
ChimeraX-Map: 1.3
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: 2.2.2
ChimeraX-MCopy: 1.0
ChimeraX-MDcrds: 2.17.1
ChimeraX-MedicalToolbar: 1.1
ChimeraX-Meeting: 1.0.1
ChimeraX-Minimize: 1.2
ChimeraX-MLP: 1.1.1
ChimeraX-mmCIF: 2.16
ChimeraX-MMTF: 2.2
ChimeraX-ModelArchive: 1.0
ChimeraX-Modeller: 1.5.22
ChimeraX-ModelPanel: 1.5.1
ChimeraX-ModelSeries: 1.0.1
ChimeraX-Mol2: 2.0.3
ChimeraX-Mole: 1.0
ChimeraX-Morph: 1.0.2
ChimeraX-MouseModes: 1.2
ChimeraX-Movie: 1.0.1
ChimeraX-MutationScores: 1.0
ChimeraX-Neuron: 1.0
ChimeraX-Nifti: 1.2
ChimeraX-NMRSTAR: 1.0.2
ChimeraX-NRRD: 1.2
ChimeraX-Nucleotides: 2.0.3
ChimeraX-OpenCommand: 1.15.1
ChimeraX-OrthoPick: 1.0.1
ChimeraX-PDB: 2.7.10
ChimeraX-PDBBio: 1.0.1
ChimeraX-PDBLibrary: 1.0.4
ChimeraX-PDBMatrices: 1.0
ChimeraX-PickBlobs: 1.0.1
ChimeraX-Positions: 1.0
ChimeraX-PresetMgr: 1.1.3
ChimeraX-ProfileGrids: 1.3.1
ChimeraX-PubChem: 2.2
ChimeraX-ReadPbonds: 1.0.1
ChimeraX-Registration: 1.1.2
ChimeraX-RemoteControl: 1.0
ChimeraX-RenderByAttr: 1.6.5
ChimeraX-RenumberResidues: 1.1
ChimeraX-ResidueFit: 1.0.1
ChimeraX-RestServer: 1.3.1
ChimeraX-RNALayout: 1.0
ChimeraX-RotamerLibMgr: 4.0
ChimeraX-RotamerLibsDunbrack: 2.0
ChimeraX-RotamerLibsDynameomics: 2.0
ChimeraX-RotamerLibsRichardson: 2.0
ChimeraX-SaveCommand: 1.5.2
ChimeraX-Scenes: 0.2.1
ChimeraX-SchemeMgr: 1.0
ChimeraX-SDF: 2.0.3
ChimeraX-Segger: 1.0
ChimeraX-Segment: 1.0.1
ChimeraX-Segmentations: 3.5.7
ChimeraX-SelInspector: 1.0
ChimeraX-SeqView: 2.17.2
ChimeraX-Shape: 1.1
ChimeraX-Shell: 1.0.1
ChimeraX-Shortcuts: 1.2.1
ChimeraX-ShowSequences: 1.0.3
ChimeraX-SideView: 1.0.1
ChimeraX-SimilarStructures: 1.0.1
ChimeraX-Smiles: 2.1.2
ChimeraX-SmoothLines: 1.0
ChimeraX-SpaceNavigator: 1.0
ChimeraX-StdCommands: 1.19.1
ChimeraX-STL: 1.0.1
ChimeraX-Storm: 1.0
ChimeraX-StructMeasure: 1.2.1
ChimeraX-Struts: 1.0.1
ChimeraX-Surface: 1.0.1
ChimeraX-SwapAA: 2.0.1
ChimeraX-SwapRes: 2.5.2
ChimeraX-TapeMeasure: 1.0
ChimeraX-TaskManager: 1.0
ChimeraX-Test: 1.0
ChimeraX-Toolbar: 1.2.3
ChimeraX-ToolshedUtils: 1.2.4
ChimeraX-Topography: 1.0
ChimeraX-ToQuest: 1.0
ChimeraX-Tug: 1.0.1
ChimeraX-UI: 1.48.2
ChimeraX-Umap: 1.0
ChimeraX-uniprot: 2.3.1
ChimeraX-UnitCell: 1.0.1
ChimeraX-ViewDock: 1.3.2
ChimeraX-VIPERdb: 1.0
ChimeraX-Vive: 1.1
ChimeraX-VolumeMenu: 1.0.1
ChimeraX-vrml: 1.0
ChimeraX-VTK: 1.0
ChimeraX-WavefrontOBJ: 1.0
ChimeraX-WebCam: 1.0.2
ChimeraX-WebServices: 1.1.5
ChimeraX-Zone: 1.0.1
colorama: 0.4.6
comm: 0.2.3
comtypes: 1.4.11
contourpy: 1.3.3
coverage: 7.10.6
cxservices: 1.2.3
cycler: 0.12.1
Cython: 3.1.3
debugpy: 1.8.16
decorator: 5.2.1
docutils: 0.21.2
executing: 2.2.1
filelock: 3.19.1
fonttools: 4.59.2
funcparserlib: 2.0.0a0
glfw: 2.9.0
grako: 3.16.5
h5py: 3.14.0
html2text: 2025.4.15
idna: 3.10
ihm: 2.2
imagecodecs: 2024.6.1
imagesize: 1.4.1
iniconfig: 2.1.0
ipykernel: 6.30.1
ipython: 9.5.0
ipython_pygments_lexers: 1.1.1
ipywidgets: 8.1.7
jedi: 0.19.2
Jinja2: 3.1.6
jupyter_client: 8.6.3
jupyter_core: 5.8.1
jupyterlab_widgets: 3.0.15
kiwisolver: 1.4.9
line_profiler: 5.0.0
lxml: 6.0.1
lz4: 4.3.2
Markdown: 3.8.2
MarkupSafe: 3.0.2
matplotlib: 3.10.5
matplotlib-inline: 0.1.7
msgpack: 1.1.1
narwhals: 2.10.0
ndindex: 1.10.0
nest-asyncio: 1.6.0
netCDF4: 1.6.5
networkx: 3.3
nibabel: 5.2.0
nptyping: 2.5.0
numexpr: 2.11.0
numpy: 2.2.6
numpy: 1.26.4
nvidia-nvjitlink-cu12: 12.9.86
OpenMM: 8.2.0
OpenMM-CUDA-12: 8.2.0
openvr: 1.26.701
packaging: 25.0
ParmEd: 4.2.2
parso: 0.8.5
pep517: 0.13.1
pickleshare: 0.7.5
pillow: 11.3.0
pip: 25.2
pkginfo: 1.12.1.2
platformdirs: 4.4.0
plotly: 6.3.1
pluggy: 1.6.0
prompt_toolkit: 3.0.52
psutil: 7.0.0
pure_eval: 0.2.3
py-cpuinfo: 9.0.0
pybind11: 3.0.1
pycollada: 0.8
pydicom: 2.4.4
Pygments: 2.18.0
pyKVFinder: 0.8.3
pynmrstar: 3.3.5
pynrrd: 1.0.0
PyOpenGL: 3.1.10
PyOpenGL-accelerate: 3.1.10
pyopenxr: 1.1.4501
pyparsing: 3.2.3
pyproject_hooks: 1.2.0
PyQt6-commercial: 6.9.1
PyQt6-Qt6: 6.9.1
PyQt6-WebEngine-commercial: 6.9.0
PyQt6-WebEngine-Qt6: 6.9.1
PyQt6_sip: 13.10.2
pytest: 8.4.2
pytest-cov: 6.2.1
python-dateutil: 2.9.0.post0
pytz: 2025.2
pywin32: 311
pyzmq: 27.0.2
qtconsole: 5.6.1
QtPy: 2.4.3
qtshim: 1.2
RandomWords: 0.4.0
requests: 2.32.4
roman-numerals-py: 3.1.0
scipy: 1.14.0
Send2Trash: 1.8.3
SEQCROW: 1.9.4
setuptools: 80.9.0
sfftk-rw: 0.8.1
six: 1.17.0
snowballstemmer: 3.0.1
sortedcontainers: 2.4.0
soupsieve: 2.8
Sphinx: 8.2.3
sphinx-autodoc-typehints: 3.2.0
sphinxcontrib-applehelp: 2.0.0
sphinxcontrib-blockdiag: 3.0.0
sphinxcontrib-devhelp: 2.0.0
sphinxcontrib-htmlhelp: 2.1.0
sphinxcontrib-jsmath: 1.0.1
sphinxcontrib-qthelp: 2.0.0
sphinxcontrib-serializinghtml: 2.0.0
stack-data: 0.6.3
superqt: 0.7.6
tables: 3.10.2
tcia_utils: 1.5.1
tifffile: 2025.3.13
tinyarray: 1.2.5
tomlkit: 0.13.3
tornado: 6.5.2
traitlets: 5.14.3
typing_extensions: 4.15.0
tzdata: 2025.2
urllib3: 2.5.0
wcwidth: 0.2.13
webcolors: 24.11.1
wheel: 0.45.1
wheel-filename: 1.4.2
widgetsnbextension: 4.0.14
WMI: 1.5.1
Change History (2)
comment:1 by , 31 hours ago
| Component: | Unassigned → Surface/Binding Analysis |
|---|---|
| Owner: | set to |
| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → accepted |
| Summary: | ChimeraX bug report submission → Vina output in ViewDock: KeyError: 'RMSD l.b.' |
comment:2 by , 31 hours ago
| Resolution: | → duplicate |
|---|---|
| Status: | accepted → closed |
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Duplicate of #18804