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Structure validation

Publisher: Dmitriy Marin

Updated: May 27, 2020


Latest versions

Windows: 0.12.4 on SAMSON 0.12.0

Linux: 0.12.4 on SAMSON 0.12.0

Mac: 0.12.4 on SAMSON 0.12.0

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Structure validation

Publisher: Dmitriy Marin

Updated: May 27, 2020


Latest versions:

- Windows: 0.12.4 on SAMSON 0.12.0

- Linux: 0.12.4 on SAMSON 0.12.0

- Mac: 0.12.4 on SAMSON 0.12.0

Validate biological structures

This Element provides the following tools for structure validation:

  • Check and remove alternate locations.
  • Find modified/non-standard residues that were not recognized as residues but as structural groups and modify them into residues with a standard residue type which is necessary for some simulation software.
  • Find clashes and close contacts between atoms.