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FINDWATERS(1) General Commands Manual FINDWATERS(1)

NAME

findwaters - locate water sites in an electron density map

SYNOPSIS

findwaters [options]

DESCRIPTION

findligand is a part of the Coot suite of programs.

OPTIONS

These programs follow the usual GNU command line syntax, with long options starting with two dashes (-). A summary of options is included below.

name of file containing protein structure

name of input MTZ file. Column labels for F and PHI must be specified using the --f and --phi options. Alternatively, an electron density map can be input using option --mapin

label of MTZ file column containing structure factor amplitudes

label of MTZ file column containing structure factor phase

output file for waters

sigma level [default 2.0]

fill everything with water molecules (not just water peaks)

adjust contact distance [default 1.4A]

remove water molecules below a given sigma-level. In this case, the modified input coordinates will be written to the file specified by --pdbout

name of a CCP4 format map file. This option can be used instead of --hklin, --f and --phi

SEE ALSO

bfactan(1), coot(1), density-score-by-residue(1), findligand(1), fix-nomenclature-errors(1), lidia(1).

AUTHOR

findwaters is written by Paul Emsley.

This manual page was written by Morten Kjeldgaard <mok@bioxray.dk>

January, 2011