getpdb Command Help
Command: $SCHRODINGER/utilities/getpdb
Usage: getpdb getpdb_utility.py
Copy a PDB file out of the PDB directory, or, if not found, download it from the
RCSB repository.
usage: getpdb [options] <PDB code>[<:Chain ID>] [<PDB code>[<:Chain ID>] ...]
<PDB code> is the PDB code for the desired file
<:Chain ID> is the Chain for which to extract the TITLE, ATOM, HETATM,
MODEL, ENDMDL and TER records. Use the word 'space' (without quotes) to
indicate chains whose name is the space character.
Examples:
getpdb 1xyz
retrieves the PDB file for the structure with PDB code 1xyz
getpdb 1xyz:A
retrieves the PDB file for the structure with PDB code 1xyz
and extracts TITLE, ATOM, HETATM, MODEL, ENDMDL and TER records
for Chain A
getpdb 1xyz:space
retrieves the PDB file for the structure with PDB code 1xyz
and extracts TITLE, ATOM, HETATM, MODEL, ENDMDL and TER records
for Chain " "
getpdb 1xyz 1e6o:L
retrieves the PDB file for the structure with PDB code 1xyz
Also retrieves the PDB file for the structure with PDB code 1e6o
and extracts TITLE, ATOM, HETATM, MODEL, ENDMDL and TER records
for Chain L
Options:
-v, -version Show the program's version and exit.
-h, -help Show this help message and exit.
-b Download the complete biological unit for each PDB code.
This option forces -r, and will ignore Chain IDs.
-l Only search the local directory for PDB files, do not
retrieve from the web. (def. use local and web)
-r Only retrieve PDB files from the RCSB respository, do not
search local directories. (def. use local and web)
-d Print debugging output. (def. do not print)
-verbose Print verbose debugging output. (def. do not print)
-fasta Obsolete. Use the -format option instead
-format FORMAT Download file in specified format. Available options:
pdb|cif|xml|sf|fasta. Single chain download is only
available for pdb format.