[Dock-fans] (no subject)

Gareth Williams gareth.2.williams at kcl.ac.uk
Fri Jun 2 02:59:24 PDT 2006


Hi,

Can anyone help me with the BABEL pdb -> mol2 converter on MSDOS?

There appears to be a memory shortage: "Unable to allocate memory for 2426 
atoms..."

Also, won't open large SDF file of NIH compounds when I try

babel -h -imaccs3 diversity.sdf all -omol2 CON > diversity.mol2

diversity.sdf is the NIH diversity set

Thanks for any suggestions,
Gareth


Gareth Williams
Bioinformatics
Wolfson CARD
The Wolfson Wing
Hodgkin Building
Kings College London
London SE1 1UL
Tel:  020 7848 6806
Fax: 020 7848 6816
http://www.kcl.ac.uk/depsta/biomedical/CARD/CARD.htm





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