Format Conversion: Difference between revisions
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mol2smi - Daylight tool to convert sdf to smi | mol2smi - Daylight tool to convert sdf to smi | ||
syb2smi - Daylight tool to convert mol2 to smi | syb2smi - Daylight tool to convert mol2 to smi | ||
[[Category:Tools]] | |||
Revision as of 21:49, 8 November 2007
tools with explanations, including notes about pathologies.
openbabel convert.py
Pc2unix convsyb - convert mol2 to various pdb formats (DOCK3.5?) mol2sdf - convert mol2 to sdf format (superceded by filter?) mol2smi syb2smi sph2pdb pdb2sph - convert ligand atoms to spheres (DOCK3.5! mods?)
cansmi - Daylight tool to make cannonical smiles mol2smi - Daylight tool to convert sdf to smi syb2smi - Daylight tool to convert mol2 to smi