VMD-L Mailing List

From: Eric Hu (yunfeng_at_ucla.edu)
Date: Fri Sep 22 2000 - 16:31:06 CDT

Eric Hu wrote:

>
>
> John Stone wrote:
>
>> > 3. I don't quite understand how to select contact residues (14.6
>> in user
>> > menu). Let's say I have a protein.pdb file and want to define the
>> > contact residues with 200 GLU.
>>
>> Being a computer scientist, I'm not familiar with what you mean by
>> "200 GLU", but I assume you mean resname GLU and resid 200, could
>> you elaborate? If you're looking for all residues in contact with
>> another residue ("200 GLU"?) you could do this:
>> same residue as (all within 2 of (resname GLU and resid 200))
>>
>
> Hi, John
> Thanks a lot for your email. It really helps a lot. One thing I want
> to know is that when I select the close contact residues. It includes
> the residue itself (e.g. GLU). How can I disable this selection? Also
> after I edit the pdb file can I save those modifications and work on
> it later. Now I always have to redo everything from the beginning when
> loading that unfinished file.
> -Eric