CCL: Mol2 file example?
- From: "TJ O'Donnell" <tjo^^gnova.com>
- Subject: CCL: Mol2 file example?
- Date: Tue, 26 May 2009 18:30:50 -0700
Sent to CCL by: "TJ O'Donnell" [tjo^^^gnova.com]
I just used openbabel to convert 10MH.pdb to 10MH.sy2
It appears to have ligands and water, though I had
to add hydrogens to get the waters to be included.
Joe, I can't attach a file here, so send me an email and
I'll send the file to you.
TJ O'Donnell, Ph.D.
President, gNova, Inc.
Joe Leonard jleonard42__gmail.com wrote:
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.