> Paul
>
>
>
> On 22/09/16 11:15, Amit singh wrote:
>
> Hi
>
> Files a.pdb and b.pdb are from RDKit test data (working fine)
>
> Files 1.pdb and 2.pdb (other than test data, which are giving error)
>
> On Thu, Sep 22, 2016 at 3:03 PM, Greg Landrum <greg.l
Hi
Files a.pdb and b.pdb are from RDKit test data (working fine)
Files 1.pdb and 2.pdb (other than test data, which are giving error)
On Thu, Sep 22, 2016 at 3:03 PM, Greg Landrum <greg.land...@gmail.com>
wrote:
> HI Amit,
>
>
> On Thu, Sep 22, 2016 at 9:23 AM, Am
Dear All
I am a new entry in this discussion forum and also for RDKit
I am trying to calculate shape tanimoto and rms between two molecules (PDB
files) from 3D functionality of RDKit.
Code is working fine for the pdb files given in test data.
But gives error whenever I uses other pdb files
3 matches
Mail list logo
