User 169b52bbd8
22-05-2009 01:34:58
Hi All,
Is there a way to import the molecule name as a separate column from an SDF file where the name is encoded in the first line of the file? (ie when the file looks like the one below)
Cheers
David
MINAPRINE
-ISIS- 0140210192D
24 24 0 0 0 0 0 0 0 0999 V2000
-1.0919 -0.0811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9333 -0.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
ChemAxon fa971619eb
22-05-2009 06:44:36
David,
No, I'm afraid that this is not currently supported.
We need to allow this to be done, and will try to do this in a future release.
Tim
User d05c206aa2
09-09-2011 17:47:50
| tdudgeon wrote: |
David, No, I'm afraid that this is not currently supported. We need to allow this to be done, and will try to do this in a future release. |
Hey Tim,
Was this ever fixed?
I just had a session with one of our IJC users who was trying to import an SDF which has the molecule name in the molecule header only (no SD tags). I couldn't find a way to extract the name as a separate column (neither on import or afterwards).
I ended up writing a script to add a tag with the name, but this seems a bit redundant/unnecessary. Am I missing something?
Paul
ChemAxon fa971619eb
09-09-2011 17:50:39
No, I'm afraid we still haven't implemented this. What you have done is the best approach for now.
Tim