[Chimera-users] Reading of charges from PRMTOP file and labeling atoms with charge value ?

[Eric Pettersen]

Hi Marek,
	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.

--Eric

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

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
>
> focus
> labelopt info charge
> label
>
> 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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