PyMOL Molecular Graphics System / [PyMOL] APBS plug in

[PyMOL] APBS plug in [PyMOL] APBS plug in. From: Markus Heller <[email protected]> - 2015-08-06 18:22:44. Hello all, I'm running incentive pymol 1.7.4 on Windoze 7 64bit professional. The APBS plugin fails with; below is the output. Temp file locations are standard: Temp PQR: C:\Users\mheller\AppData\Local\Temp\pymol-generated.pqr Temp PDB: C:\Users\mheller\AppData\Local\Temp\pymol-generated.pdb Home > PyMOL > Electrostatic potential. Installation of APBS By using PyMOL plugin "APBS", I'll show you how to display electrostatic potential from pdb file. Access the Download page, and download "apbs-1.1.0-Windows.zip"; Extract the zip file at PyMOL folder How about using the APBS plugin? in the APBS pymol plugin. Select: "Choose Externally generated PQR". Or use this: python pdb2pqr.py --ff=AMBER --with-ph=5 As far as I know, pdb2pqr, uses PROPKA 1.0 to get the pKa. There has been a large development to PROPKA since then. Version 3.1 is available at homepage: Get notifications on updates for this project. Get the SourceForge newsletter. Get newsletters and notices that include site news, special offers and exclusive discounts about IT products & services. The APBS code is accompanied by extensive documentation for both users and programmers and is supported by a variety of utilities for preparing calculations and analyzing results. Finally, the free, open-source APBS license ensures its accessibility to the entire biomedical community. PDB2PQR. The use of continuum solvation methods such as APBS requires accurate and complete structural data as

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