CCL: Mol2 file example?
- From: Joe Leonard <jleonard42++gmail.com>
- Subject: CCL: Mol2 file example?
- Date: Tue, 26 May 2009 19:07:35 -0400
Sent to CCL by: Joe Leonard [jleonard42*|*gmail.com]
Folks, does anybody have (or can they easily generate) a Sybyl mol2
file containing a protein/ligand and waters? Any old PDB file would
do, as long as it's a cocrystal with waters. While the mol2 file
format is documented on their support website, there's no example
file. There's a fair number of entries that would profit from a more-
complete example such as the one I'm looking for...
Thanks in advance! I've tried googling for such an example and I'm
getting papers talking about files rather than the files themselves...
The only solution I see for developers to not have to be diplomatic to
get cooperation from other departments is to arm the developers.