Opened 5 years ago

Last modified 5 years ago

#3590 assigned enhancement

Upcoming template-synonym change

Reported by: Tristan Croll Owned by: Greg Couch
Priority: normal Milestone:
Component: Input/Output Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

The following bug report has been submitted:
Platform:        Linux-3.10.0-1127.13.1.el7.x86_64-x86_64-with-centos-7.8.2003-Core
ChimeraX Version: 1.0 (2020-06-04 23:15:07 UTC)
Description
Eric's comment on #3571 just reminded me: there is an upcoming change to the mmCIF template format that might be of interest (https://www.wwpdb.org/news/news#5f17634f0b582626e650e48b). Short version is that _chem_comp.pdbx_synonyms is being phased out, and replaced with a new data category _pdbx_chem_comp_synonyms. Might be quite useful to capture those - in many cases the main name of the template is some unreadable IUPAC monstrosity, whereas the common name is in the list of synonyms. Might be neat to choose the shortest name out of the main name and synonyms for display purposes.

Log:
UCSF ChimeraX version: 1.0 (2020-06-04)  
© 2016-2020 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  




OpenGL version: 3.3.0 NVIDIA 450.51.05
OpenGL renderer: TITAN Xp/PCIe/SSE2
OpenGL vendor: NVIDIA Corporation
Manufacturer: Dell Inc.
Model: Precision T5600
OS: CentOS Linux 7 Core
Architecture: 64bit ELF
CPU: 32 Intel(R) Xeon(R) CPU E5-2687W 0 @ 3.10GHz
Cache Size: 20480 KB
Memory:
	              total        used        free      shared  buff/cache   available
	Mem:            62G         15G         32G        283M         14G         46G
	Swap:          4.9G          0B        4.9G

Graphics:
	03:00.0 VGA compatible controller [0300]: NVIDIA Corporation GP102 [TITAN Xp] [10de:1b02] (rev a1)	
	Subsystem: NVIDIA Corporation Device [10de:11df]	
	Kernel driver in use: nvidia
PyQt version: 5.12.3
Compiled Qt version: 5.12.4
Runtime Qt version: 5.12.8

Change History (1)

comment:1 by pett, 5 years ago

Component: UnassignedInput/Output
Owner: set to Greg Couch
Platform: all
Project: ChimeraX
Status: newassigned
Summary: ChimeraX bug report submissionUpcoming template-synonym change
Type: defectenhancement
Note: See TracTickets for help on using tickets.