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APBS 1.3 released

posted Oct 27, 2010, 7:55 AM by Nathan Baker

Dear APBS users --

We are pleased to announce the release of APBS 1.3.  This release contains several new features and bug fixes which are described in detail at http://goo.gl/l0Pt.  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, as described at http://goo.gl/CHZy.
  • APBS now supports the ability to write out atom-specific potentials using the "write atompot" keyword in the APBS input file.  This has been an often-requested feature and is described in more detail at http://goo.gl/iEAO.
  • APBS now supports the ability to read and write compressed (GZIPped) potential file output using the "write pot gz ..." command (see http://goo.gl/iEAO).
  • APBS now provides additional control over the numerical accuracy of the underlying calculations, giving users the opportunity to increase/decrease accuracy to change the speed of their calculations.

The new version of APBS can be downloaded from http://www.poissonboltzmann.org/apbs/downloads.

Thank you for your continuing support of APBS.

Sincerely,

The APBS Development Team

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