Is the Win32 installer for OpenBabel v.2.2.3 still available?
Kirk Simmons
--
All the data continuously generated in your IT infrastructure
contains a definitive record of customers, application performance,
security thr
On 20/11/2011 18:43, Kirk Simmons wrote:
> Is the Win32 installer for OpenBabel v.2.2.3 still available?
I think so:
http://sourceforge.net/projects/openbabel/files/openbabel/2.2.3/
Chris
--
All the data continuously gen
> I am trying to search a fast search indexed database and getting an Open
> Babel error "Cannot read the SMILES string". My input smiles is:
> NC(=O)C(c1a1)c2a2. Does someone see an issue here?
>
> Kirk Simmons
>
--
Hi,
On Sun, Nov 20, 2011 at 11:59 PM, Kirk Simmons wrote:
>
>> I am trying to search a fast search indexed database and getting an Open
>> Babel error "Cannot read the SMILES string". My input smiles is:
>> NC(=O)C(c1a1)c2a2. Does someone see an issue here?
This is not a valid smiles
Dear openbabel-ers,
I have couple of questions regarding obconformer program:
1. is it possible to generate the full set of rotamers ( any specified
amount) rather then one with the lowest energy? If ansew to my question is
yes, then HOW Can I ask f.e about structures of top 100?
2. by defau
