[Chimera-users] save mol2 command

[Huang, Shengyou]

Hi, Eric, hi, Elaine,
 
It works great for me with the Python script file. Thanks so much for your help!
 
Shengyou

________________________________

From: Eric Pettersen [mailto:pett at cgl.ucsf.edu]
Sent: Fri 1/19/2007 6:22 PM
To: Huang, Shengyou
Cc: Chimera BB
Subject: Re: [Chimera-users] save mol2 command


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 <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

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