PDB2PQR 1.7.1

Dear PDB2PQR users --

We are pleased to announce the release of PDB2PQR 1.7.1. This release contains several new features and bug fixes which are described in detail at http://goo.gl/w0BxD. Among these changes are several important features which should be of broad interest to the community.

The primary URL for APBS Opal support has changed to leverage services provided by the National Biomedical Computation Resource (http://nbcr.net/). This provides additional computational resources to users who are interested in running calculations on remote resources.
Added more JMol controls for visualization.
Improved error reporting.
Fixed many bugs in both the command line and web version.
Improved behavior of –userff and –usernames command line switches for user created force fields. –usernames now works properly. See http://goo.gl/pXNNZ
The new version of PDB2PQR can be downloaded from http://www.poissonboltzmann.org/pdb2pqr/d

Thank you for your continuing support of PDB2PQR.


The PDB2PQR Development Team

Posted by Nathan Baker 2011-08-07

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