molecular-structures

.... and that maybe fine.... If you decide this is of no interest, that is very helpful too!

Details:

Structures Models of long transcripts (like Human gene TTN with over 30,000 residues) need residue numbering > 9999

Obviously, MMCIF format is the solution of the RCSB/PDBe

The UCSF Sali Lab Modbase group has adopted hybrid-36 format for these models. I left one of their models here

In the file defining the Alkene functional group (stk.molecular.functional_groups.alkene.py), lines 103 and 116 return self.atom1 and self.atom2.
atom1 and atom2 do not exist.
Should be return self._atom1 and return self._atom2.

This issue is not picked up with the current tests so suggests a need to see if each atom can be retrieved successfully ( get_carbon1 etc.) for each fu