Good morning,
I wonder whether openbabel tools can be used for, given a database with
thousands of ligands, analyzing each ligand and reporting which fragments are
rigid and which parts or connetors can be modelled as flexible.
Thanks in advance,
Horacio
---
that could be enough for our purposes
could you tell me which function?
On 23 Mar , 2012, at 6:11 PM, Noel O'Boyle wrote:
> I think so, but you would have to write some code to do it. The
> library has a function to find rotatable bonds.
>
> - Noel
>
> 2012/3/2
Hi,
we are using Open Babel 2.4.1 and we have found a very strange behaviour when
converting pdbqt format; for instance:
a) babel 3CQA.pdbqt 3CQA_2.pdbqt
(file is pasted below)
it makes unnecessary modifications to several parts of the file
or
b) babel *.pdbqt -opdbqt test_join.pdbqt
in ou
Thanks.
Is it possible to get the binary of the last development version? Or only the
source?
> On 3 Oct 2019, at 18:46, Noel O'Boyle wrote:
>
> Have you tried the latest code? If the problem persists with the latest
> development code, could you please file a bug.
>
> Thanks,
>Noel
>
>
Last Ubuntu version
Thanks
> On 10 Oct 2019, at 02:27, Geoffrey Hutchison
> wrote:
>
>> Is it possible to get the binary of the last development version? Or only
>> the source?
>
> We are currently building binaries of 3.0 - what platform do you use?
>
> -Geoff
>
> _
