ROCS Updated
02 10 13 - Filed in: computational chemistry drug discovery
OpenEye have just announced that the virtual screening tool ROCS v3.2 has been released.
Several noteworthy features have been added to this version including a -subrocs option that can drastically improve substructure alignments. Also included is an application rocs-report that uses our 2D depiction technology to make pdf reports of hitlists displayed with 2D similarity, shape and color overlaps, as well as property histograms. Substantial upgrades have been made to vROCS. An improved sketcher now highlights unspecified stereochemistry in atoms and bonds in query structures, and requires the user to correct any unspecified stereochemistry.
ROCS is available for download here.
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