Difference between revisions of "Requests for ZINC"

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* fix protonation problems
 
* fix protonation problems
 
* some properties are zero
 
* some properties are zero
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[[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