APBS 1.3 released (re-post)

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Nathan Baker

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Jul 17, 2011, 3:22:55 PM7/17/11
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(NOTE:  THIS IS A RE-POST FROM THE OLD APBS-ANNOUNCE MAILING LIST)

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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