-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 | Hi all, | | APBS (http://agave.wustl.edu/apbs/) is a package that allows you to | perform very fast, accurate electrostatics calculations. I've written a | PyMOL plugin that allows you to run APBS and visualize the results very | easily from within PyMOL (version 0.96 or higher). | | The plugin lets you configure all of the normal APBS parameters (whether | you want the full nonlinear Poisson-Boltzmann equation or not, what the | various dielectrics should be, ion concentrations, etc.). | | Also, the plugin comes with a visualization tab that can be used to aid in | the visualization of any electrostatic potential. | | It's quite easy to install, thanks to PyMOL's new plugin system.
Short feedback: I tried APBS before (when there was no plugin) but somehow ran out of steam converting input for APBS and converting output to Pymol. Now I tried the Redhat-enabled rpms on SuSE 9.1 (you need to install maloc.rpms from the maloc-site and do a "rpm -Uhv --nodeps *.rpm" with python2.3 installed (comes with SuSE, but as the APBS-stuff searches for python2 in /usr/lib, it gives an error, which can be ignored of course) and it *works out of the box*. Really, really great stuff (no more GRASP/DELPHI!!!)! Bottomline: (you could add a hint on the rpm to your site stating, that they work with SuSE 9.0/9.1 (32 bit) also). Thanks for that great tool! And thanks to Warren for giving Pymol free to the world. - -- Bye, Marc Saric http://www.marcsaric.de -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.2.4 (GNU/Linux) Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org iD8DBQFA9mnxvKxJUF29wRIRAsbnAKCg3zVbI1Z8lgSgX5UbOosXYpfh/gCfRSY6 aS4Tnl9XI4FEzdMgZtba8ps= =l3cr -----END PGP SIGNATURE-----
