Re: [Open Babel] single sdf to multi pdbs conversion with compound names

2017-10-25 Thread Sundar
Hi Chris, Worked like a charm. Thanks a lot. But I couldn't find a documentation for --split All I see is --splitinto docs. -Jubilant On Wed, Oct 25, 2017 at 4:08 AM, Chris Morley wrote: > On 25/10/2017 07:55, Sundar wrote: > > Can anyone help me convert a single input (multimolecular) sdf fil

Re: [Open Babel] single sdf to multi pdbs conversion with compound names

2017-10-25 Thread Chris Morley
On 25/10/2017 07:55, Sundar wrote: Can anyone help me convert a single input (multimolecular) sdf file into multiple pdb files with the molecule names (as seen in the sdf file) as their file names instead of consecutively numbered file names? Try: obabel manymols.sdf -O dummy.pdb --split Eac

[Open Babel] single sdf to multi pdbs conversion with compound names

2017-10-24 Thread Sundar
Hi, Can anyone help me convert a single input (multimolecular) sdf file into multiple pdb files with the molecule names (as seen in the sdf file) as their file names instead of consecutively numbered file names? Thanks, Jubilant