Dear all,
I asked the following question already last Friday but unfortunately I did
not receive any answer.
I'm trying to generate .rxn files and/or a single .rdf file from several
reaction smiles which are stored in a csv file.
Can someone tell me how there is a way to achieve this via Pybel? O
Dear all,
I asked the following question already last Friday but unfortunately I did
not receive any answer.
I'm trying to generate .rxn files and/or a single .rdf file from several
reaction smiles which are stored in a csv file.
Can someone tell me how there is a way to achieve this via Pybel? O
Hey guys,
I'm still trying to generate the .rxn files. Problem now is, that in my
.rxn bond blocks I always have bonds labeld 6 instead of 1. So basically
during the transformation to a .rxn file the function is not anymore sure
if the bonds are aromatic or single bonds.
I can fix this easily wit
