ptm (version 0.2.2)

dist2closest: Search and Compute the Distance to the Closest Aa

Description

Computes the distance to the closest amino acid of the indicated type

Usage

dist2closest(pdb, chain, res, aa = "M", backbone = FALSE)

Arguments

pdb

is either a PDB id, or the path to a pdb file.

chain

chain ID.

res

position of the residue of interest.

aa

amino acid of interest.

backbone

logical, when TRUE it means that we include those atoms belonging to the main chain (CA, N, O and C) beside all the side chain atoms.

Value

Numerical value indicating the distance in <U+00E5>ngstr<U+00F6>ms (<U+00C5>).

Details

The identity of the closest Aa is given as an attribute.

See Also

res.dist(), pairwise.dist(), ball()

Examples

# NOT RUN {
dist2closest(pdb = '1q8k', chain = 'A', res = 222, aa = 'S')
# }