Jose A. G. Varela comments

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                                            Jose A. G. Varela

PDB Import issue : MolFromPDBFile() vs MolFromPDBBlock()

Hi there, I'm pretty new to the project, I'm still starting to understand it, but I think you need to use the function Chem.MolToPDBBlock function before calling MolFromPDBBlock . You...

PDB Import issue : MolFromPDBFile() vs MolFromPDBBlock()

Hi @urekam712 , I think the problem you have in your code has to do with the way you define the pdb variable, because you are putting a string without...

NumAmideBonds descriptor missing

Could you explain me briefly what you intend to solve in the ticket? it seems that you want to move or wrapper the calculations done in rdMolDescriptors to Descriptors but...

Switch Draw.MolToImage and Draw.MolsToImage to use new drawing code when possible

Hi Greg, I'm looking for a ticket to get started but I think this one is solved too, right? at least I've already seen the implementation of the _legacy* functions...

PDB Import issue : MolFromPDBFile() vs MolFromPDBBlock()

@urekam712 could this ticket be closed?

PDB Import issue : MolFromPDBFile() vs MolFromPDBBlock()

This ticket can be closed

Chem.CanonSmiles failed to generate unique smiles

Hi there , problem is related with this fragment .... [C@@H]3N([C@H]4.... ,if you use .... [C@H]3N([C@H]4.... seems work fine. To revise by @greglandrum

Chem.CanonSmiles failed to generate unique smiles

You're welcome @alkorolyov-selvita

Chem.CanonSmiles failed to generate unique smiles

This ticket can be closed

Error on reaction smart parsing

Hi @thegodone, I have just tested your code and can include more information about stacktracke associated : ```pyton **** Invariant Violation could not find probe element Violation occurred on line...