automatic retrival of bonds for ligands from pdb

singa-bio / singa

:leaves: SiNGA (Simulation of Natural Systems using Graph Automata) is an open-source library containing tools especially for structural bioinformatics and systems biology.

MIT License

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automatic retrival of bonds for ligands from pdb #32

Closed cleberecht closed 7 years ago

cleberecht commented 7 years ago

using the ligand database accessed by the three letter code https://www3.rcsb.org/ligand/cob respectively https://files.rcsb.org/ligands/view/COB.cif to retrieve bonds from the bond section

cleberecht commented 7 years ago

since 7212616 the automatic retrieval of bonds works for modified nucleotides

cleberecht commented 7 years ago

prototype implemented in 9438618