/Native-contacts-determination-from-MD

We provide a set of scripts to calculate native contacts from a MD. Native contacts are determined according to the overlap and rCSU approach (http://pomalab.ippt.pan.pl/GoContactMap/).

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Native-contacts-trajectory-visualization-tool

We provide a set of scripts to calculate native contacts from a MD frame or trajectory. Native contacts are determined according to the overlap and rCSU approach (http://pomalab.ippt.pan.pl/GoContactMap/).

Native Contacts visualization in VMD:

REFERENCE

Cofas-Vargas, L.F., R.A. Moreira, S. Poblete, M. Chwastyk, and A.B. Poma. 2024. “The Go-Martini Approach: Revisiting the Concept of Contact Maps and the Modelling of Protein Complexes”. Acta Physica Polonica A ISSN 1898-794X 145 (3): S9. https://doi.org/10.12693/APhysPolA.145.S9