[Chimera-users] minimize command
meng at cgl.ucsf.edu
Wed Feb 27 16:10:57 PST 2008
The command for saving coordinates is "write", see
You will also want to use the "format mol2" option, and perhaps other
options described on that page.
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
On Feb 27, 2008, at 4:04 PM, snoze pa wrote:
> I guess i can use either 'minimize' or "addh and addcharge"
> otherwise it will run the antechamber twice.minimize is working
> fine but i can not save the result in mol2 format using COMMAND
> option. I try wrtiemol2 but it is not accepting it as a command.
> save is also not saving in mol2 format.
> Any help, thanks in advance.
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