generfp doesn't accept Smiles that begin with a dot (.)

User a3accc027a

20-09-2005 13:47:48

Hello Mr. Vargyas,

i've noticed while testing generfp 3.0.14 that any smile that begins with a dot makes the program abort with error message: Cannot read molfile

Accord for Excel (version 5.0) generates such kind of smiles. Even though it can easily be fixed by removing leading dots in smiles, i think it's a minor bug that should be fixed.

Thanks !


ChemAxon efa1591b5a

20-09-2005 14:43:12

Hello Guillem,

thanks for the bug report. We will fix it.

BTW: generfp is obsolete, use generatemd c -k CF instead.