3 Nov
2008
3 Nov
'08
10:25 a.m.
On Nov 3, 2008, at 9:11 AM, Elaine Meng wrote:
If you didn't want any dialog interactions (for example using Chimera in nogui mode) you would have to give the net charge, and in that case you can only do one residue type at a time. That is probably one model in your case if each is a small molecule for docking: addcharge nonstd #0.2 -2
One slight correction: in nogui mode, if you use "addcharge all" it will use estimated charges for any non-standard residues. --Eric Eric Pettersen UCSF Computer Graphics Lab http://www.cgl.ucsf.edu