[Chimera-users] save mol2 command

[Eric Pettersen]

Hi Shengyou,
	As Elaine says, there is no command yet.  It is pretty easy to do  
with a Python script though.  If you put the following lines in a file:

import chimera
from WriteMol2 import writeMol2
writeMol2(chimera.openModels.list(modelTypes=[chimera.Molecule]),  
"models.mol2")

into a file ending in ".py" (e.g. "writeMol2.py"), then if you open  
that file in Chimera (using File->Open... or the "open" command),  
then a Mol2 file named models.mol2 containing your current structures  
will be written into the same folder where the Python script is.

--Eric

                         Eric Pettersen
                         UCSF Computer Graphics Lab
                         pett at cgl.ucsf.edu
                         http://www.cgl.ucsf.edu

On Jan 19, 2007, at 10:36 AM, Elaine Meng wrote:

> Hi Shengyou,
> Currently there is no command to save a Mol2 file - the only way is
> with File... Save Mol2 in the Chimera menu.  There is a "write"  
> command
> for saving coordinates, but it only saves PDB format.  In the future,
> it may be improved to also save Mol2 format.  Best,
> Elaine
> -----
> Elaine C. Meng, Ph.D.                          meng at cgl.ucsf.edu
> UCSF Computer Graphics Lab and Babbitt Lab
> Department of Pharmaceutical Chemistry
> University of California, San Francisco
>                       http://www.cgl.ucsf.edu/home/meng/index.html
>
>
> On Jan 16, 2007, at 8:19 PM, Huang, Shengyou wrote:
>
>> Hi,
>>
>> Does anybody know a COMMAND which can save a mol2 format file in
>> Chimera? Thanks!
>>
>> Shengyou Huang
>>
>> _______________________________________________
>> Chimera-users mailing list
>> Chimera-users at cgl.ucsf.edu
>> http://www.cgl.ucsf.edu/mailman/listinfo/chimera-users
>
> _______________________________________________
> Chimera-users mailing list
> Chimera-users at cgl.ucsf.edu
> http://www.cgl.ucsf.edu/mailman/listinfo/chimera-users

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://plato.cgl.ucsf.edu/pipermail/chimera-users/attachments/20070119/552bed08/attachment.html>