I found the respective section and it worked all well.
Thanks
Jubilant
> On Oct 16, 2017, at 2:02 PM, Dimitri Maziuk wrote:
>
>> On 10/16/2017 01:50 PM, Noel O'Boyle wrote:
>> Have you read the section in the docs that describes how to do that?
>
> I suspect the issue that if gcc and all req
On 10/16/2017 01:50 PM, Noel O'Boyle wrote:
> Have you read the section in the docs that describes how to do that?
I suspect the issue that if gcc and all required development libraries
aren't already installed, setting it all up in your home directory is a
major PITA. And you may run out of disk
Have you read the section in the docs that describes how to do that?
On 16 Oct 2017 7:35 p.m., "Sundar" wrote:
> Hi,
>
> I would like to build openbabel in a local folder on a linux machine. I
> don't have root access to this machine.
> Help me out with it.
>
> -Jubilant
>
>
Hi,
I would like to build openbabel in a local folder on a linux machine. I
don't have root access to this machine.
Help me out with it.
-Jubilant
--
Check out the vibrant tech community on one of the world's most
engagin
Hi Marcos,
There is no straightforward way to do it OpenBabel, I've recentrly
developed such fingerprint (Protein-Ligand Extended Connectivity FP) and
presented it on RDKit UGM
https://github.com/rdkit/UGM_2017/blob/master/Posters/Wojcikowski-PLEC_fingerprint.pdf
PLEC Basically is what you've su
Is it possible to calculate circular fingerprints around a predefined
atom/atom-pair?
For example, I'm using a PDB file containing a ligand (LIG) showing a
nitrogen atom (e.g. N) that interacts with an oxygen atom of a serine
residue (let's call it OG).
What I want is to generate a circular finge
