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

[Marek Maly]

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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