CheckHBond evaluates whether a hydrogen bond can be formed between two residues in a PDB structure, allowing you to specify the amino acid present at the second position. The aim of the program is to assess whether a hydrogen bond can be maintained after a mutation has occurred.
Note that because the function of the program is to assess the effects of mutations, it only looks at sidechain/sidechain and sidechain/mainchain hydrogen bonds.
- Residue identifiers should be specified in the form [chain]resnum[insert] where [chain] is an optional chain name and [insert] is an optional insert code. Thus 102, H23, 27A and H52B are all valid residue identifiers.
- The amino acid type should be specified using the three-letter code (upper, lower, or mixed case).
- The cutoff is used to search around overlapping grid points to account for quantization and rounding errors in forming the grids.