mdc_KLIFS_overview.py

Produce an overview of a the Kinase 85 pocket-residues nomenclature,optionally mapping it on an input topology. This nomenclature can be read locally or over the network from the KLIFS database.

usage: mdc_KLIFS_overview.py [-h] [-t TOPOLOGY] [--keep] [--verbose] [--AAs AAS] [--labels LABELS]
                             KLIFS_string_or_excelfile

Positional Arguments

KLIFS_string_or_excelfile

Get KLIFS definitions from here. A string, e.g. P31751 to construct a path to a an Excel File ‘KLIFS_P31751.xlsx’, or an Excel File directly. If nothing is found locally, there will be a web-lookup For web-lookups, the string has to be formatted as key:value, eg. ‘UniProtAC:P31751’. See the online documentation on mdciao’s LabelerKLIFS object and also https://klifs.net/ for more details.

Named Arguments

-t, --topology

Topology file

--keep

Save the consensus file locally for later use, default is False

Default: False

--verbose

Print the consensus labels for all residues

Default: False

--AAs

Print the idxs and labels of these AAs, e.g. R131,GLU30

--labels

Print the idxs and resnames of these consensus labels, e.g. 3.50,2.63