Mol2db2 Format 2: Difference between revisions
Jump to navigation
Jump to search
(new page about wishlist of features for mol2db/dock flexibase format) |
mNo edit summary |
||
| Line 6: | Line 6: | ||
*Terminal hydrogen rotations?? | *Terminal hydrogen rotations?? | ||
*Aliphatic ring movements? | *Aliphatic ring movements? | ||
[[Category:Wishlists]] | |||
Revision as of 07:07, 1 December 2009
This page is a wishlist for features that would be nice for a new version of the flexibase file format to support.
- Real Atom Types and Bond Information
- Way to determine which mix-and-match conformations have clashes (and avoid trying them)
- A place to store an internal energy for each possible conformation
- Terminal hydrogen rotations??
- Aliphatic ring movements?