bio3d (version 2.3-4)

cat.pdb: Concatenate Multiple PDB Objects

Description

Produce a new concatenated PDB object from two or more smaller PDB objects.

Usage

cat.pdb(…, renumber=FALSE, rechain=TRUE)

Arguments

…

two or more PDB structure objects obtained from read.pdb.

renumber

logical, if ‘TRUE’ residues will be renumbered.

rechain

logical, if ‘TRUE’ molecules will be assigned new chain identifiers.

Value

Returns an object of class "pdb". See read.pdb for further details.

Details

This is a basic utility function for creating a concatenated PDB object based on multipe smaller PDB objects.

References

Grant, B.J. et al. (2006) Bioinformatics 22, 2695--2696.

See Also

read.pdb, atom.select, write.pdb, trim.pdb

Examples

# NOT RUN {
## Read a PDB file from the RCSB online database
pdb1 <- read.pdb("1etl")
pdb2 <- read.pdb("1hel")

## Concat
new.pdb <- cat.pdb(pdb1, pdb2, pdb1, rechain=TRUE, renumber=TRUE)

## Write to file
write.pdb(new.pdb, file="concat.pdb")
# }