Shortcut: SKETCHMAP_PROJECTION

Module dimred
Description Usage
Read in a sketch-map projection used in 0 tutorialsused in 1 eggs
output value type
the out-of-sample projections of the input arguments using the input sketch-map projection scalar/vector

Input

The arguments that serve as the input for this action are specified using one or more of the keywords in the following table.

Keyword Type Description
ARG scalar the list of arguments you would like to use in your definition of the path

Further details and examples

Text from manual goes here

Syntax

The following table describes the keywords and options that can be used with this action

Keyword Type Default Description
ARG input none the list of arguments you would like to use in your definition of the path
REFERENCE compulsory none a pdb file containing the set of reference configurations
TYPE compulsory OPTIMAL-FAST the manner in which distances are calculated
PROPERTY compulsory none the property to be used in the index
WEIGHT compulsory none the weight of each individual landmark in the stress fucntion that is to be optimised
HIGH_DIM_FUNCTION compulsory none the parameters of the switching function in the high dimensional space
LOW_DIM_FUNCTION compulsory none the parameters of the switching function in the low dimensional space
CGTOL compulsory 1E-6 The tolerance for the conjugate gradient minimization that finds the out of sample projections
COEFFICIENTS optional not used the coefficients of the displacements along each argument that should be used when calculating the euclidean distance
NOPBC optional false ignore the periodic boundary conditions when calculating distances
NOSPATH optional false do not calculate the spath CV
NOZPATH optional false do not calculate the zpath CV
GPATH optional false calculate the trigonometric path