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Published December 21, 2022 | Version 3.3.0
Software Open

ale94mleon/MolDrug: 3.3.0 - 2020.12.21

Authors/Creators

  • 1. Universität des Saarlandes

Description

Changed
  • moldrug.utils.__tar_errors__ by moldrug.utils.tar_errors.
  • Default value of moldrug.utils.tar_errors is error instead of .error.
  • moldrug.constraintconf.generate_conformers outputs warnings and errors to error instead of .error.
  • moldrug.fitness.__vinadock by moldrug.fitness._vinadock.
  • moldrug.fitness._vinadock outputs warnings and errors to error instead of .error.
Fixed
  • The use of moldrug.utils.tar_errors inside of moldrug.utils.Local and moldrug.utils.GA.
  • Clean code.

Files

ale94mleon/MolDrug-3.3.0.zip

Files (1.4 MB)

Name Size Download all
md5:40168139bd26f0fa1a2f1856d8df9ecf
1.4 MB Preview Download

Additional details

Related works

Is supplement to
https://github.com/ale94mleon/MolDrug/tree/3.3.0 (URL)