That seems to have done the trick. Many thanks, my friend!
Wallace
On Tue, Nov 3, 2015 at 8:07 AM, Fredrik Wallner wrote:
> Hi,
>
> I tried to convert your molecule to SMILES to see what was happening and
> it seems like the problem is not so much that it is a radical as it is a
> problem with
Hi,
I tried to convert your molecule to SMILES to see what was happening and it
seems like the problem is not so much that it is a radical as it is a problem
with that specific line. According to the error message when trying to make a
smiles string, you can only have 8 entries in an M RAD lin
Noel,
Thanks for your reply. I seem to have found the issue. The following
molecule (in SDF format) appears to be the problem:
*CID 10832764 45 45 0 0 0 0 0 0 0 0999 V2000 -4.5473 -1.4088
-2
Convert to smi and figure out which molecules are missing.
- Noel
On 28 October 2015 at 18:36, Wallace Chan wrote:
> Dear All,
>
> I am having trouble with creating a fast search index. My command and output
> are as follows:
>
> Command
> babel glass.sdf -ofs
>
> Output
> This will prepare an i
