[Chimera-users] Charge calculations PDB2PQR

Nikolay Igorovich Rodionov nirodion at syr.edu
Fri Apr 20 07:53:38 PDT 2012

Hi all,
                Does anyone knows any alternative charge calculating software packages to PDB2PQR. I need to calculate partial charge distribution but the local copy of PDB2PQR that I installed has some kind of glitch where it is scrapping all of the water molecules from my solvated protein while doing the analysis. I think it has something to do with the side of my PDB file since I am using about 30K atoms, at least, and everything goes perfectly when I work with less 10K atoms. So, I guess the second question is, has anyone else ever encountered this problem?

Nikolay Rodionov
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