usage: cluster_tab [-h] peaklist.tab clusters [cluster.tab]
Read peak clusters from a file and add them to an NMRPipe .tab file
Cluster file format
-------------------
Each cluster is a comma separated list of peaks. Each peak is a list of
spin names. Each spin name should contain three parts: a one-letter code
for the amino acid type or '+' for un-assigned spin systems; an integer
residue number or system number; and finally a dash followed by an atom
name. Any of the three parts can be replaced by a '?' if the part is
unavailable. Two names can be combined into one if the spins form a spin
anchor (i.e. they are a directly attached hydrogen/heavy atom pair). In
such a case, list the residue type and residue number once and combine
the atom names with a slash. If spin anchor names are combined for one
peak, they must be combined for all peaks. You can add or remove
clusters to be added with the '#' symbol.
The nmrpeaklists script print_tab_clusters can be used with the option
'-c' to print a list of clusters compatible with this script.
2D Examples
-----------
I29-H I29-N, K9-H K9-N
# K31-H K31-N, W37-HE1 W37-NE1
or
I29-H/N, K9-H/N
# K31-H/N, W37-HE1/NE1
E102-H/N, +117-H/N, +118-H/N, +143-H/N
E17-H/N, ??-?
3D Examples
-----------
W37-HA W37-CA L87-?, I29-HG2 I29-CG2 Y74-HE
or
W37-HA/CA L87-?, I29-HG2/CG2 Y74-HE
# S?-H/N D58-C, R64-H/N T63-C
positional arguments:
peaklist.tab .tab file
clusters cluster file
cluster.tab output file (default cluster.tab)
optional arguments:
-h, --help show this help message and exit