id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
2385	Wrong default criteria	goddard@…	Eric Pettersen	"{{{
The following bug report has been submitted:
Platform:        Darwin-18.7.0-x86_64-i386-64bit
ChimeraX Version: 0.91 (2019-09-04)
Description
swapaa docs say the default criteria option is dchp.  But using

swapaa /A:53 GLU criteria dchp

gives an error about no volume specified while omitting the criteria option works.  So I'm confused what is the actual default criteria.  Leaving out the d criteria

swapaa /A:53 GLU criteria chp

also does not give the same behavior as omitting the criteria option -- this command is much faster and does not spew countless messages about hbond acceptors.

So what really is the default criteria?  I'm trying to figure out why it is using hbonds when I expect all rotamers to have clashes.  I can see their may be number of clash ties, but it even seems to use hbonds if I use ""score sum"" which I would not expect to produce ties, unless there are rotamers with 0 clashes.


Log:
UCSF ChimeraX version: 0.91 (2019-09-04)  
© 2016-2019 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open 6h6b format mmCIF fromDatabase pdb

6h6b title:  
Structure of alpha-synuclein fibrils [more info...]  
  
Chain information for 6h6b #1  
---  
Chain | Description  
A B C D E F G H I J | Alpha-synuclein  
  
  

> swapaa /A:53 GLU criteria dchp

Using Dunbrack library  
/A ALA 53: phi -136.3, psi 131.6 trans  
Density criteria requested but no volume model specified  




OpenGL version: 4.1 ATI-2.11.20
OpenGL renderer: AMD Radeon Pro Vega 20 OpenGL Engine
OpenGL vendor: ATI Technologies Inc.

}}}
"	defect	closed	normal		Structure Editing		fixed						all	ChimeraX