> I am facing a similar problem. I dowload ligands in sdf format from pdb
> website.
Can you give us particular examples? Particular links? Particular problems?
What version of Open Babel are you using? What OS?
Right now, I'd say "it works for me" because I've processed the entire
LigandExpo f
I am facing a similar problem. I dowload ligands in sdf format from pdb
website.
Any solution to convert these sdf with babel ?
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Check out the
On 15/03/2012 00:01, Tony Cook wrote:
> The Alias feature is for display. That is if you draw the structure from the
> information in the SDF file (or any of the MDL formats)
>you are supposed to use the alias name instead of the atomic symbol in the
> drawing only. However for all other pur
> From: c.mor...@gaseq.co.uk
> To: openbabel-discuss@lists.sourceforge.net
> Subject: Re: [Open Babel] Trouble converting .sdf files downloaded from PDB
> website
>
> On 12/03/2012 23:18, baratron wrote:
> > Hi all,
> >
> > I'm trying to find the quickes
On 12/03/2012 23:18, baratron wrote:
> Hi all,
>
> I'm trying to find the quickest way to get ligands from the PDB website into
> .mol2 format for use in another program.
>
If I run the OpenBabel program from command line, I get lots of
> warning messages:
> ==
> *** O
Hi,
> I thought it would be quicker to download the ligands separately and convert
> them from .sdf format to .mol2 format, but something weird happens when I do
> that. If I run the OpenBabel program from command line, I get lots of
> warning messages:
> ==
> *** Open
Hi all,
I'm trying to find the quickest way to get ligands from the PDB website into
.mol2 format for use in another program.
The PDB website will let me download either the entire protein + ligand
complex as a .pdb file, or the ligand only in .sdf format.
I thought it would be quicker to down
