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dbprocess

Elaine Meng

As an interface to the commonly used databases from Molecular Design Limited, we are providing two conversion schemes to convert SD files (such as from MACCS or ISIS) to SYBYL MOL2 files. The subsequent MOL2 database can be converted to a DOCK database with mol2db.

The suite of scripts and programs described here, collectively called dbprocess, is the method that has been used traditionally at UCSF. The future conversion scheme, however, is likely to be directly or indirectly based upon sdf2mol2, a version of which is provided and described below. The dbprocess scheme is provided to give the user a choice in conversion methods and for backward compatibility for those who have already used it. To use this conversion scheme, please consult the 00README file in the directory ./source/database/dbprocess under the DOCK root. Note that this conversion requires Tripos' SYBYL.

Curator: Daniel Gschwend, gschwend@cgl.ucsf.edu (rev. 1 September 1995)