[Chimera-users] segname
Eric Pettersen
pett at cgl.ucsf.edu
Thu Apr 2 11:47:45 PDT 2015
I'm glad it's working for you. Thanks for finding that problem!
--Eric
On Apr 2, 2015, at 11:30 AM, Francesco Pietra <chiendarret at gmail.com> wrote:
> Hi Eric:
> I tried with my files. Thanks a lot for allowing NAMD users to catch segname segments with CHIMERA
>
> all the best
>
> francesco
>
> On Wed, Apr 1, 2015 at 8:12 PM, Eric Pettersen <pett at cgl.ucsf.edu> wrote:
> Hmm, Chimera was being a bit of stickler in that it wasn't reading the columns that included the segment ID unless the ATOM records had a full 80 characters. The ATOM records in your file are a little shorter (78 characters). I have modified the Chimera code to be a little more flexible in that regard. If you get tonight's daily build, it will process the segment IDs in your file. Look for builds dated April 1 or later.
>
> --Eric
>
> On Apr 1, 2015, at 8:27 AM, Francesco Pietra <chiendarret at gmail.com> wrote:
>
>> Hi Eric:
>> If I did correctly, it does not work.
>>
>> Attached is a pdb file from work that I recently published. If relevant, I could also provide psf/dcd. In fact, my main interest is in describing the MD trajectory with chimera/centroid, while highlighting in different colors the various chains and residues of particular interest
>>
>> Thanks a lot for your interest
>>
>> francesco
>>
>> define centroid
>>
>>
>>
>> On Mon, Mar 30, 2015 at 11:32 PM, Eric Pettersen <pett at cgl.ucsf.edu> wrote:
>> Hi Francesco,
>> It should be available as the atom attribute pdbSegment, e.g. "color red @/pdbSegment=XY2". If that doesn't work, please let me know and attach a PDB file with segment info in it that I can use for testing.
>>
>> --Eric
>>
>> Eric Pettersen
>> UCSF Computer Graphics Lab
>> http://www.cgl.ucsf.edu
>>
>> On Mar 28, 2015, at 6:34 AM, Francesco Pietra <chiendarret at gmail.com> wrote:
>>
>>> Hello:
>>>
>>> May I ask whether there is till a problem in having CHIMERA understanding segname? For those working with XPLOR (NAMD, for example) and multichain proteins, rendering results with CHIMERA becomes very tedious (having to use atom indexes)
>>>
>>> Thanks
>>> francesco pietra
>>> _______________________________________________
>>> Chimera-users mailing list
>>> Chimera-users at cgl.ucsf.edu
>>> http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users
>>
>>
>>
>>
>>
>> <miniSOG_O2_box_ion.pdb>
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://plato.cgl.ucsf.edu/pipermail/chimera-users/attachments/20150402/afb38c06/attachment.html>
More information about the Chimera-users
mailing list