[Chimera-users] Reading of charges from PRMTOP file and labeling atoms with charge value ?
pett at cgl.ucsf.edu
Tue Jun 1 15:35:03 PDT 2010
I just made some changes to preserve the prmtop charge info, so if
you get tomorrow's daily build you will be able to use those charges.
UCSF Computer Graphics Lab
On Jun 1, 2010, at 3:01 AM, Marek Maly wrote:
> Dear all,
> when using PRMROP/INPCRD(RST,MDCRD) files to load molecule - is
> Chimera able to read CHARGE information
> from the PRMTOP file ? If Chimera is able to do it, how is then
> possible to label atoms with it's charges ?
> It seems to me that the recommended commands sequence
> labelopt info charge
> works only after "Add Charge" procedure which is trying to
> calculate charges according the residuies in loaded
> molecule but I do hope that that there is also way how to simply
> visualize charge values which are already present
> in the PRMTOP file.
> Thanks a lot in advance for your comments !
> Best wishes,
> Marek Maly
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