SciELO - Scientific Electronic Library Online

vol.15 issue4  suppl.1Implementation of the OWA operator in a computer system for performance evaluationTowards more efficient delivery routes. A virtual store case study author indexsubject indexarticles search
Home Pagealphabetic serial listing  

Services on Demand



  • Have no cited articlesCited by SciELO

Related links

  • Have no similar articlesSimilars in SciELO


Revista Cubana de Ciencias Informáticas

On-line version ISSN 2227-1899


NAVAS-CONYEDO, Edisel; RAMIREZ-CAYON, Leonardo A.; GONZALES-SUAREZ, Amauris D.  and  GULIN-GONZALEZ, Jorge. Surface representation model of macromolecular structures. Rev cuba cienc informat [online]. 2021, vol.15, n.4, suppl.1, pp. 75-85.  Epub Dec 01, 2021. ISSN 2227-1899.

Some biological structures as macromolecules, proteins, and platelets have hundreds to thousands of atomic structures, where internal structures are irrelevant when evaluating the interaction between them. When evaluating the interaction between structures, the information present on their surface is sufficient, for this reason, it is important to have a model that abstracts the entire internal structure, keeping only the one present on the surface and avoiding unnecessary computations. We propose a Python module named pysurmolmesh for the construction of a representative model of the surfaces of macromolecular structures through a mesh of inter- acting particles that reflect their mechanical and chemical properties, avoiding containing information on the internal macromolecular structures.

Keywords : Surface model; Macromolecule; Python.

        · abstract in Spanish     · text in Spanish     · Spanish ( pdf )