Opened 6 years ago

Last modified 6 years ago

#2718 accepted enhancement

Have "more info..." link result offer link to structure's PDB page

Reported by: goddard@… Owned by: Eric Pettersen
Priority: normal Milestone:
Component: Logging Version:
Keywords: Cc: Elaine Meng
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description (last modified by Eric Pettersen)

The following bug report has been submitted:
Platform:        Darwin-19.2.0-x86_64-i386-64bit
ChimeraX Version: 0.91 (2019-12-18)
Description
Would be useful the more info link when opening a PDB model provided a link to the PDB page for that model.


Log:
UCSF ChimeraX version: 0.91 (2019-12-18)  
© 2016-2019 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open /Users/goddard/Desktop/6pt2_pqr.pdb

Chain information for 6pt2_pqr.pdb #1  
---  
Chain | Description  
A | No description available  
B | No description available  
  

> color byattribute occupancy #1 range -1,1

12221 atoms, 763 residues, atom occupancy range -0.78 to 0.55  

> show atoms

> color byattribute occupancy #1 range -.5,.5

12221 atoms, 763 residues, atom occupancy range -0.78 to 0.55  

> hide cartoons

> surface #1

> usage color

color [objects] [color [what]] [target characters from 'abcfprs']
[transparency a number] [halfbond true or false]  
— color objects  
objects: an objects specifier or nothing  
color: a color or one of byatom, bychain, byelement, byhetero, bymodel,
bynucleotide, bypolymer, fromatoms, or random  
what: a collection of one of All, atoms, bonds, cartoons, labels, pseudobonds,
ribbons, rings, or surfaces  
Subcommands are:

  * color bfactor
  * color byattribute
  * color cylindrical
  * color delete
  * color electrostatic
  * color gradient
  * color height
  * color list
  * color modify
  * color name
  * color radial
  * color sample
  * color sequential
  * color show
  * color zone

  

Expected a collection of one of 'All', 'atoms', 'bonds', 'cartoons', 'labels',
'pseudobonds', 'ribbons', 'rings', or 'surfaces' or a keyword  

> color #1 byatom

> hide surfaces

> color byattribute occupancy #1 range -.5,.5

12221 atoms, 763 residues, 2 surfaces, atom occupancy range -0.78 to 0.55  

> show surfaces

> select /C

24 atoms, 23 bonds, 1 model selected  

> select /B

5829 atoms, 5883 bonds, 10 pseudobonds, 2 models selected  

> select /C

24 atoms, 23 bonds, 1 model selected  

> select clear

> hide surfaces

> select /C

24 atoms, 23 bonds, 1 model selected  

> color byattribute occupancy #1 range -.5,.5 average residues

12221 atoms, 763 residues, 2 surfaces, residue average occupancy range -0.0833
to 0.0625  

> color byattribute occupancy #1 range -.1,.1 average residues

12221 atoms, 763 residues, 2 surfaces, residue average occupancy range -0.0833
to 0.0625  

> show sel surfaces

> select clear

> show surfaces

> hide #1.4 models

> color byattribute occupancy #1 range -.1,.1 average residues palette redblue

12221 atoms, 763 residues, 3 surfaces, residue average occupancy range -0.0833
to 0.0625  

> hide surfaces

> open /Users/goddard/Desktop/6pt2_add_charge.pdb

6pt2_add_charge.pdb title:  
Crystal structure of the active δ opioid receptor In complex with the peptide
agonist KGCHM07 [more info...]  
  
Chain information for 6pt2_add_charge.pdb #2  
---  
Chain | Description  
A B | δ opioid receptor  
C D | peptide agonist KGCHM07  
  
Non-standard residues in 6pt2_add_charge.pdb #2  
---  
CLR — cholesterol  
DAR — D-arginine  
DI7 — 2,6-dimethyl-L-tyrosine  
OLA — oleic acid  
OLC — (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate (1-oleoyl-R-glycerol)  
OXJ — 1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine  
SAR — sarcosine  
  

> hide #!1 models

> color byattribute bfactor #2 range -.1,.1 average residues palette redblue

12241 atoms, 780 residues, residue average bfactor range -0.0825 to 0.0445  

> hide #!2 cartoons

> show #!2 cartoons

> hide #!2 cartoons

> show #!2 atoms

> surface #2/A,B

> color #2 byatom

> color byattribute bfactor #2 range -.1,.1 average residues palette redblue

12241 atoms, 780 residues, 2 surfaces, residue average bfactor range -0.0825
to 0.0445  

> color byattribute bfactor #2/C,D range -.1,.1 palette redblue

219 atoms, 11 residues, atom bfactor range -0.84 to 0.69  

> lighting soft

> lighting full

> lighting simple

> color byattribute bfactor #2/C,D range -.1,.1 palette redblue average
residues

219 atoms, 11 residues, residue average bfactor range -0.001 to 0.0433  

> color byattribute bfactor #2/C,D range -.1,.1 palette redblue

219 atoms, 11 residues, atom bfactor range -0.84 to 0.69  

> hide #!2 surfaces

> show #!2 cartoons

> delete /B,D

> select :1008,1015,1049,1059,1085,79,81,251,253,254,327

325 atoms, 305 bonds, 2 models selected  

> open 4n6h format mmCIF fromDatabase pdb

4n6h title:  
1.8 A Structure of the human δ opioid 7TM receptor (PSI Community Target)
[more info...]  
  
Chain information for 4n6h #3  
---  
Chain | Description  
A | Soluble cytochrome b562, Delta-type opioid receptor chimeric protein  
  
Non-standard residues in 4n6h #3  
---  
EJ4 —
(4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol
(Naltrindole)  
NA — sodium ion  
OLA — oleic acid  
OLC — (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate (1-Oleoyl-R-glycerol)  
PGE — triethylene glycol  
TLA — L(+)-tartaric acid  
  
  

> log metadata #3

Metadata for 4n6h #3  
---  
Title | 1.8 A Structure of the human δ opioid 7TM receptor (PSI Community
Target)  
Citation | Fenalti, G., Giguere, P.M., Katritch, V., Huang, X.P., Thompson,
A.A., Cherezov, V., Roth, B.L., Stevens, R.C. (2014). Molecular control of
delta-opioid receptor signalling. Nature, 506, 191-196. PMID: 24413399. DOI:
10.1038/nature12944  
Non-standard residues | EJ4 —
(4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol
(Naltrindole)  
NA — sodium ion  
OLA — oleic acid  
OLC — (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate (1-Oleoyl-R-glycerol)  
PGE — triethylene glycol  
TLA — L(+)-tartaric acid  
Gene sources | Homo sapiens (human)  
Escherichia coli (human)  
Experimental method | X-ray diffraction  
Resolution | 1.80Å




OpenGL version: 4.1 ATI-3.4.19
OpenGL renderer: AMD Radeon Pro 580 OpenGL Engine
OpenGL vendor: ATI Technologies Inc.

Change History (1)

comment:1 by Eric Pettersen, 6 years ago

Cc: Elaine Meng added
Component: UnassignedLogging
Description: modified (diff)
Owner: set to Eric Pettersen
Platform: all
Project: ChimeraX
Status: newaccepted
Summary: ChimeraX bug report submissionHave "more info..." link result offer link to structure's PDB page
Type: defectenhancement
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