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PDB2PQR 1.7.1 released

posted Aug 6, 2011, 7:25 PM by Nathan Baker

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.

Sincerely,

The PDB2PQR Development Team

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