User e47fc0b649
20-10-2005 15:37:15
Hello,
I have a problem with molconvert for one of my molecules.
I use jchem3.1.1 with the Molecule File Converter version: 4.0.1. The molecule that give strange result is attached in this post, called "molecule_pbconvert.sdf". I just wanted to convert it in SMILES format so I used the command line below:
molconvert smiles molecule_pbconvert.sdf -o molecule_pbconvert.smiles
and the file I obtained is also joined to this post. The problem occur when I tempt to view the file "molecule_pbconvert.smiles" in MarvinView (version 4.0.1): I couldn't view my structure.
After I tried again withe the option smiles:0 or smiles:q but the result was the same.
Could you help me to understand my problem?
Best regards,
Samia ACI
I have a problem with molconvert for one of my molecules.
I use jchem3.1.1 with the Molecule File Converter version: 4.0.1. The molecule that give strange result is attached in this post, called "molecule_pbconvert.sdf". I just wanted to convert it in SMILES format so I used the command line below:
molconvert smiles molecule_pbconvert.sdf -o molecule_pbconvert.smiles
and the file I obtained is also joined to this post. The problem occur when I tempt to view the file "molecule_pbconvert.smiles" in MarvinView (version 4.0.1): I couldn't view my structure.
After I tried again withe the option smiles:0 or smiles:q but the result was the same.
Could you help me to understand my problem?
Best regards,
Samia ACI