filter

Filter frames for subsequent Actions using data sets and user defined criteria.

filter <dataset1 arg> min <min1> max <max1> [<dataset2 arg> min <min2> max <max2> ...] [out <file> [name <setname>]]

<datasetX arg> Data set name(s) to use for filtering
min <minX> Allow values greater than <min> in dataset X.
max <maxX> Allow values greater than <max> in dataset X.
[out <file>] File containing 1 for frames that were allowed, 0 for frames that were filtered.
[name <setname>] Filtered data set name containing 1 for allowed frames, 0 for filtered frames.

For all following actions, only include frames that are between <min> and <max> of data sets in <dataset arg>. There must be at least one <min> and <max> argument, and there must be as many <min>/<max> arguments as there are specified data sets. For example, to write only frames in-between an RMSD of 0.7-0.8 Angstroms for a given input trajectory:

trajin ../tz2.truncoct.nc
rms R1 first :2-11
filter R1 min 0.7 max 0.8 out filter.dat
outtraj maxmin.crd

The output trajectory will only contain frames that meet the RMSD requirement, and the filter.dat file can be used to see which frames those were that were output. A similar command that can be used with data that already exists (e.g. it has been read in with readdata) is datafilter.