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Electrostatics calculations with APBS and PyMol
[[APBS]] is available on all machines *but* PyMol is only available on the newer nodes. You better sit . . . ----- Start with a clean PDB of your structure. PyMol can add missing hydrogens and side chains (?), . . . use a PDB file prepared by /psfgen/. Then : * pymol mypdb.pdb * Plugin -> APBS tools * Select . . . submenus). [[image: Electrostatics with APBS and PyMol (molecular surface)]] . . .
2K - last updated 2005-12-03 15:19 UTC by server.cluster.mbg.gr
Molecular dynamics tutorials
* Molecular dynamics tutorials (NAMD-based) : ** [[Running a molecular dynamics simulation of native . . . * [[Electrostatics calculations with APBS and PyMol]] . . .
1K - last updated 2006-09-15 14:05 UTC by server.cluster.mbg.gr
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