Reduce

Add hydrogens to a Protein DataBank with this tool.
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Reduce Ranking & Summary

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  • Rating:
  • License:
  • Freeware
  • Publisher Name:
  • J. Michael Word
  • Operating Systems:
  • Windows All
  • File Size:
  • 4.4 MB

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Reduce Description

Reduce is a handy, easy to use application, specially designed to help you add hydrogens to a Protein DataBank (PDB) molecular structure file. Hydrogens are added in standardized geometry with optimization of the orientations of OH, SH, NH3+, Met methyls, Asn and Gln sidechain amides, and His rings. Both proteins and nucleic acids can be processed. HET groups can also be processed as long as the atom connectivity is provided. A slightly modified version of the connectivity table published by the PDB is available below. Note that the HET dictionary is available in two "flavors" - new and old (again). Which one to use is dependent upon which type of reduced PDB you want as output


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