[Chimera-users] PDBFILE statistics
meng at cgl.ucsf.edu
Thu Aug 4 10:06:03 PDT 2011
I believe that the command and menu selection methods automatically omit the rotamers, so you if your waters are named HOH you could just use command
sel #0 & ~:hoh
I tested that by using the command before and after showing rotamers for some residue, and both gave the same number of atoms and bonds selected.
Elaine C. Meng, Ph.D.
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco
On Aug 4, 2011, at 9:39 AM, Alex Shkumatov wrote:
> Hi Elaine
> That perfectly answers my question. Is there also a way to do selection such as
> select 0 AND not all waters AND not rotamers.
> Thank you for reply!
> On 04.08.2011 18:14, Elaine Meng wrote:
>> You could make a selection with commands, for example
>> select O
>> ...would select all oxygens
>> select protein
>> ...would select all protein
>> select :trp
>> ... would select all tryptophan residues
>> or with the menu, for example
>> Select... Chemistry... element... O
>> Select... Structure... protein
>> Select... Residue... TRP
>> Then after something is selected, you could see contents of the selection (how many atoms and residues) by clicking the green magnifying glass near the bottom right corner of the Chimera window, or write a list of the selected atoms or residues to a file or to the Reply Log (Actions... Write List). The status line also reports the number of selected atoms, temporarily.
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