Saturday, November 12, 2011

Compiling adaptive Poisson-Boltzmann Solver (APBS) on CentOS 5

Adaptive Poisson-Boltzmann Solver (APBS) is a software package for modeling biomolecular solvation through solution of the Poisson-Boltzmann equation (PBE), one of the most popular continuum models for describing electrostatic interactions between molecular solutes in salty, aqueous media......

Installation is very simple. There are many binaries there and you can use the binaries directly. Do note that the latest binaries (apbs-1.3) uses will require glibc 2.7 and greater. If you are using CentOS 5, you may want to use apbs-1.21 binaries or below.

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Juan said...

Hi, Im new on Clusters world, and I would like configure APBS on my rocksclusters. I had this roll, but I dont know, How I can configure this to work around the Cluster? Additional to this PyMOL installed. Thank you

kittycool said...

Hi Juan,

I have not used RockCluster so I don't think I can answer adequately on the Roll.

I guess the easiest will be to NFS share out a common directory. Usually it is /usr/local/ rather than use the Roll Use the instruction set, found in the blog