Mol2db

mol2db is a program developed to combine multimol2 files into the Flexibase format read by DOCK.

The purpose of this page is to document how mol2db works and any changes made to mol2db, and is not necessarily a guide to preparing files to run or running them through mol2db.

ui.c reads the inhier parameter file and sets variables

hiergen.c uses the multiple conformations to construct the hierarchy data structure (in a yet to be discovered way)