Opened 8 years ago

Last modified 6 years ago

#1009 closed defect

molecular surface not included in command-line specifiers of corresponding atoms (protein, nucleic, many others) — at Version 1

Reported by: Elaine Meng Owned by:
Priority: major Milestone:
Component: Command Line Version:
Keywords: Cc: chimera-programmers
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description (last modified by Elaine Meng)

For example, structure 1ncc is antibody H and L chains, and N chain mostly protein but also some glycosylations. The first ~protein in the commands below specifies what I expect, only the glycosylations, but the second one also colors the antibody surfaces.

open 1ncc
select ~protein
surf
surf /n enclose /n include ligand
color ~protein steel blue

I'm thinking this affects all the command-line specifiers of sets of atoms (protein, nucleic, sidechain, ligand ...). Yes, molecular surface models are not atoms, but I think this is wrong behavior. The atomic patches of a molecular surface should be specified along with the corresponding atoms.

I don't know to whom this should be assigned.

Change History (1)

comment:1 by Elaine Meng, 8 years ago

Cc: chimera-programmers added; Eric Pettersen removed
Description: modified (diff)
Owner: Tom Goddard removed
Summary: surface command changes definition of ~protein?molecular surface not included in command-line specifiers of corresponding atoms (protein, nucleic, many others)
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