I definitely agree. Perhaps a modification of the -m option, e.g. "-m
50" would be chunks of 50 molecules, and "-m 50p" would be 50 parts.
In this way, "-m" on its own would be equivalent to "-m 1". The only
problem would be if someone wrote "-m 2" by accident, instead of "-m
2p".
- Noel
On 4 Jun
Very helpful - thanks.
I think incorporating this functionality in future OpenBabel releases
would be very useful...
Found a number of posts online of people (e.g.
http://blueobelisk.shapado.com/questions/how-to-split-large-sdf-files-into-series-of-smaller-files)
of people wanting to do this...
On 6/3/11 12:56 AM, JP wrote:
Hi there,
Using OpenBabel 2.3.0, is there a way how to split a molecule file
(e.g. sdf) into chunks?
I can imagine two different modes of action:
0) split molecule file in n chunks
1) split molecule file in chunks of (at most) n molecules
The use case for this is
Hi there,
Using OpenBabel 2.3.0, is there a way how to split a molecule file
(e.g. sdf) into chunks?
I can imagine two different modes of action:
0) split molecule file in n chunks
1) split molecule file in chunks of (at most) n molecules
The use case for this is that sometimes you want to work
