[Chimera-users] (1) Autodock Vina executable on windows (2) selection of submodels

[Elaine Meng]

Hi Visvaldas,
If you report problems, it is better to use Help… Report a Bug in the menu because it tells us what version you are using, on what platform, etc.  

(1) However, it looks like the same issue is already reported as a bug ticket #16322.  This ticket is still open (not fixed as far as I know):
<http://plato.cgl.ucsf.edu/trac/chimera/ticket/16322>

(2) In this case your syntax is wrong… no # should follow the comma.  So it would be:

sel #1.1,0
- or -
sel #0,1.1

…to get all of #0 and only submodel 1 of #1.  Or if you only want 0.1 and 1.1, it would be:

sel #1.1,0.1
- or -
sel #0.1,1.1

I hope this helps,
Elaine
-----
Elaine C. Meng, Ph.D.                       
UCSF Chimera(X) team
Department of Pharmaceutical Chemistry
University of California, San Francisco


> On Nov 12, 2018, at 10:05 PM, Visvaldas K. <coyote_v2002 at yahoo.com> wrote:
> 
> Dear colleagues,
> I'd like to report a couple of issues which have cropped up.
> 
> (1) On Windows, running Autodock Vina in Chimea using local executable fails due to spaces in file path (gives error something like "File "C:\Program" not found). The thing is, the university computer admins do not allow change paths or copy system files around. It should be possible to escape spaces in file names, wouldn't it?
> 
> (2) The selection of submodels does not work if it is used as a part of the list. For example,
> 
> "sel #1.1" selects just the submodel 1 (let's say I have a set of 20 molecules in sdf file), which is fine, while "sel #1.1,#0" selects ALL submodels in #1 in addition to #0, and that does not seem to be right.
> 
> Best regards,
> Visvaldas