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

Marek Maly marek.maly at ujep.cz
Tue Jun 1 03:01:03 PDT 2010

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

Tato zpráva byla vytvořena převratným poštovním klientem Opery:  

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