21 03 16 - Filed in: drug design Molecular modeling
SeeSAR Version 4.2 just came out! The main new features are
- You now control when the compute-intense Hyde-calculation runs, this means large sets of molecules can now be loaded, analyzed and processed (e.g. filtering, calculating properties) before the intensive affinity calculations are run.
- Much improved version of grouping all poses of the same molecule
Version 4.2 comes with a load of minor improvements, particularly for the command line use. The full release notes are here.
I've been following this software since it was first released and there is a review here, every update brings useful features. It is well worth downloading the free 1 week trial to have a look at.
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