Requests for ZINC: Difference between revisions
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* fix protonation problems | * fix protonation problems | ||
* some properties are zero | * some properties are zero | ||
[[Category:jji]] | |||
Latest revision as of 04:14, 14 February 2014
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