Requests for ZINC

From DISI

Revision as of 23:18, 17 September 2007 by JohnIrwin (talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)

Jump to navigation Jump to search

The following features have been requested, implicitly or implicitly, for ZINC:

SDF containing properties
mol2 containing solvation (for DOCK 6.x)
InChI support
strictly correct mol2 (blank line handling)
fix duplicates
fix protonation problems
some properties are zero

Retrieved from "http://wiki.docking.org/index.php?title=Requests_for_ZINC&oldid=4269"