[Chimera-users] Total number of atoms in all submodels

Cruz, Phil (NIH/NIAID) [C] phil.cruz at nih.gov
Thu Mar 19 13:32:52 PDT 2015


Eric,

Thanks, that works perfectly.

Phil

--
Phillip Cruz, Ph.D.
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From: Eric Pettersen <pett at cgl.ucsf.edu<mailto:pett at cgl.ucsf.edu>>
Reply-To: "chimera-users at cgl.ucsf.edu<mailto:chimera-users at cgl.ucsf.edu> Mailing List" <chimera-users at cgl.ucsf.edu<mailto:chimera-users at cgl.ucsf.edu>>
Date: Thursday, March 19, 2015 4:23 PM
To: "Cruz, Phil (NIH/NIAID) [C]" <phil.cruz at nih.gov<mailto:phil.cruz at nih.gov>>
Cc: "chimera-users at cgl.ucsf.edu<mailto:chimera-users at cgl.ucsf.edu> Mailing List" <chimera-users at cgl.ucsf.edu<mailto:chimera-users at cgl.ucsf.edu>>
Subject: Re: [Chimera-users] Total number of atoms in all submodels

On Mar 19, 2015, at 1:16 PM, "Cruz, Phil (NIH/NIAID) [C]" <phil.cruz at nih.gov<mailto:phil.cruz at nih.gov>> wrote:

numAtoms = len(openModels.list(modelTypes=[Molecule])[0].atoms)

Because of the "[0]" subscript in the above, you are only getting the first Molecule model in the list.  Try this:

numAtoms = sum([len(m.atoms) for m in openModels.list(modelTypes=[Molecule])])

--Eric


                        Eric Pettersen

                        UCSF Computer Graphics Lab

                        http://www.cgl.ucsf.edu





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