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.
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.