2
votes
5answers
93 views
Best way to convert a muti-compound .smi file to a .mol (or .sdf) file?
What is th best way / program to convert a muti-compound .smi file to a .mol (or .sdf) file? Open babel fails on multiple compound smi to .mol conversion.
Is it best to just spli …
2
votes
4answers
74 views
3D Co-ordinates OpenBabel, OpenEyeChem(OMEGA) differ
I am sorry there was already a question earlier on this, but I did not get what I wanted, hence I am asking as another question. Please answer.
Do OpenBabel, OpenEyeChem generate …
0
votes
4answers
67 views
Cross-Platform OpenBabel Java interface?
I have seen that OpenBabel has a Java interface nowadays, but I am wondering if someone has made a single openbabel.jar that provides this API and has prebuild binary libraries for …
1
vote
2answers
74 views
What is the proper format of a SMILES (.smi) file?
Hello,
I've been trying to convert a list of SMILES strings into a 2d picture. In doing so I've tried running multiple opensource programs and even tried converting to other forma …
