Peptide Molconvert Syntax

User 04db012416

28-01-2008 03:54:06

Hello,





Testing the molconvert peptide import/export capabilities on WinXP, conversion works for peptide to smiles and other formats:





molconvert --peptide GAG smiles


[H]NCC(=O)N[C@@H](C)C(=O)NCC(O)=O






However, when exporting to the peptide format I get the following errors:





molconvert --smiles [H]NCC(=O)N[C@@H](C)C(=O)NCC(O)=O peptide


O)NCC(O): not found





molconvert --smiles "[H]NCC(=O)N[C@@H](C)C(=O)NCC(O)=O" peptide


Cannot export in the "peptide" format.





molconvert --peptide GAG peptide:3


Cannot export in "peptide" format.






What exactly am I doing wrong?





Thanks for the help.

ChemAxon 7c2d26e5cf

28-01-2008 14:26:02

We will check it.

ChemAxon 7c2d26e5cf

28-01-2008 16:09:57

Thanks for the bug report.


We have fixed it immediately. The bugfix will be available in the next (5.0.1) release.


The bug was in MolConverter by reading parameters.