Nicolas Renaud
Nicolas Renaud
I think it's better if we remain specific and leave both the name of the molecule and the file it's in.
I guess that will result in a few extra MBs in the file. I think we can afford that if that helps us clearly identifying which file it's from. That...
yes it might be best ... i should have kept it as a quick fix and not part of the module.
yeah these warnings are quite common and not very helpful. I guess in that case it's because there is for example no polar-polar contact (or something on those lines) The...
that means we need a new release of pdb2sql just for that though ....
> Sorry, but if you remove that warning, will the user know when there is a problem with the pdb? > > I thought we need to report a warning...
> For this specific pdb file, which has no polar-polar interaction, what does deeprank do? > > Ok. I saw: > > > > > > list(f['1ZM4_ranair-it0_9812/features_raw/RCD_polar-polar_raw']) > > >...
I think we will always find some PDB for which the data generation will fail. We should try to cover most cases but covering them all is unrealistic (especially with...
No we unfortunately cannot tell which feature caused the warning, we could say which pdb did though. By empty I meant that the grid value is 0 for each voxel....
hmmm that's strange. I'll check tomorrow