[Chimera-users] minimization with nonstandard atoms

Eric Pettersen pett at cgl.ucsf.edu
Tue Feb 7 11:18:09 PST 2012


On Feb 7, 2012, at 11:13 AM, Elaine Meng wrote:

> This approach requires using the minimize command and its "fragment"  
> option, only available in the command (not GUI), and in fairly  
> recent builds of Chimera 1.6.

In fact there is a bug in AddCharge in the most recent build that will  
trip you up with the 1a6m structure.  The bug is fixed now and will be  
in the next successful build.

--Eric

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


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