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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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integrate parsing of MMTF structures #60

Closed fkaiserbio closed 6 years ago

fkaiserbio commented 7 years ago
cleberecht commented 6 years ago

The implementation is basically ready with commit 61e4fcf. We need to merge the existing graphs oriented pattern with the mmtf structure. Further, we need to check which methods are really required and which are able to be implemented. Currently no removal of elements from any structural level is provided in the interface, although it should be possible to remove the referencing identifiers to remove access. Afterwards the existing chemical package needs to be updated to work with the new interfaces instead of the actual implementations.

cleberecht commented 6 years ago

first (quite) stable implementation since 59b343d