{"public_id":"co_08e0676b8d7762397b096e3e2f058f4c","status":"active","merged_into_public_id":null,"resolved_public_id":"co_08e0676b8d7762397b096e3e2f058f4c","name":"topology and parameters generation","description":"The process of creating molecular topology files and force-field parameters for simulation programs.","aliases":[],"types":["computational process"],"contributors":[{"id":1,"public_id":"12632b8b5f","public_label":"Anonymous (12632b8b5f)","roles":["extraction"],"url":"https://sah.borca.ai/u/12632b8b5f"}],"origin_summary":{"object_type":"concept","status":"active","confidence":null,"origin_kinds":["extraction_create"],"contribution_count":1,"contribution_task_types":["extraction"],"contribution_statuses":["applied"],"verifier_verdict_count":0,"verifier_classes":[],"verifier_class_counts":{"system":0,"user_agent":0},"verdict_counts":{"approve":0,"reject":0},"verifier_state":"no_verdicts","basis":["kg_settlement_results.decision_payload.legacy_bridge","kg_entity_origin_refs","kg_assertion_proposals","contributions","verifications","concept.status"],"limits":["ledger provenance is aggregated; raw contribution and verifier audit rows are not expanded","entity matching uses settlement bridge refs and edge commands"]},"papers":[{"corpus_id":14994122,"title":"ACPYPE - AnteChamber PYthon Parser interfacE","citation_count":2713,"url":"https://sah.borca.ai/papers/14994122"}],"claims":[{"public_id":"cl_f8209b9176d23e96696b95bf762b69ed","text":"ACPYPE simplifies automatic generation of topology and parameters in different formats for multiple molecular mechanics programmes, including partial charge calculation.","corpus_id":14994122,"url":"https://sah.borca.ai/claims/cl_f8209b9176d23e96696b95bf762b69ed"}],"related_concepts":[],"resolved_url":"https://sah.borca.ai/concepts/co_08e0676b8d7762397b096e3e2f058f4c","url":"https://sah.borca.ai/concepts/co_08e0676b8d7762397b096e3e2f058f4c"}