Only one molecule from the input SMILES file is processed...

[UnixJunkie]

Hello,

molvs standardize -i smi input.smi  -o smi -O output.smi

The input file has several molecules, the output a single one. Is this the expected behavior?

[UnixJunkie]

I installed via pip.

pip install molvs

[UnixJunkie]

this is probably the file that needs a fix: https://github.com/mcs07/MolVS/blob/master/molvs/cli.py

[mcs07]

Yes that seems to be the case. Also it looks like SDF files will only process the first molecule.

[UnixJunkie]

also, output to sdf file is not supported (it creates a mol file instead)

[UnixJunkie]

I'll send a patch for some of these.

[sgujjaABM]

Hi, I am having the same issue with an SDF file. Wondering if there's a fix? Thanks

[UnixJunkie]

I sent a PR with a fix. Use the molVS that is inside of rdkit, then you should be good to go.