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APBS
See http://apbs.sourceforge.net/ . . .
1K - last updated 2005-12-03 15:20 UTC by server.cluster.mbg.gr

Electrostatics calculations with APBS and PyMol
[[APBS]] is available on all machines *but* PyMol is only available on the newer nodes. You better sit . . . Then : * pymol mypdb.pdb * Plugin -> APBS tools * Select *APBS Location*. The APBS binary . . . location should already be there (/usr/local/bin/apbs). Add the location of the /psize.py/ file by typping . . . as such. * Click 'Set grid' at the bottom of the APBS tools window. * The unix shell should inform you . . . the grid size for the calculation. * Click 'Run APBS' at the bottom of the APBS tools window. * Select . . .
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

Software updates, known 'features', etc.
== April 11th, 2006 == * molmol v.2K-2 installed clusterwide. == March 20th, 2006 == * Haploview and . . . installed clusterwide. == Nov 29th, 2005 == * /APBS/ (for electrostatics calculations) installed on . . .
2K - last updated 2006-04-11 14:20 UTC by server.cluster.mbg.gr

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