Software:Scap Rotamer Library

From Honiglab_public

Side-chain rotamer library:

Dihedral rotamer library:

• Dihedral Rotamer library based on 135 proteins
• Dihedral Rotamer library based on 297 proteins
• Dihedral Rotamer library based on 533 proteins
• Dihedral Rotamer library based on 844 proteins

Coordinate rotamer library

• coordinate Rotamer library based on 135 proteins
• coordinate Rotamer library based on 297 proteins

All the rotamer library has the name such as: rotamer92_20_ang which has the following meaning:

• the first number 92 means the rotamer represent 92% sidechain conformations in all the protein datasets used to create the rotamer
• the second number 20 means the rotamer library is based on 20 degree torsional angle cutoff.
• the protein list is taken from Dunbrack sidechain homepage 98 version.

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scap is supported by a funding from the National Science Foundation Grant # DBI-9904841

Developed in the Honig Lab