CYANA Macro: taloslist: Difference between revisions
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== Parameters == | == Parameters == | ||
; file=''filename''.tab | ; file=''filename''.tab: (required) | ||
== Description == | == Description == | ||
Writes a chemical shift list in the format used by TALOS+ (Shen et al., J. Biomol. NMR 44, 213-223 (2009)). The following is an example of a chemical shift list for TALOS+: | Writes a chemical shift list in the format used by TALOS+ (Shen et al., J. Biomol. NMR 44, 213-223 (2009)). This command is used by the [[CYANA Macro: talos|talos]] macro that generates angle restraints from chemical shifts. | ||
== Example == | |||
The following is an example of a chemical shift list for TALOS+: | |||
REMARK Chemical shift list for TALOS | REMARK Chemical shift list for TALOS | ||
Latest revision as of 10:35, 1 August 2011
Parameters
- file=filename.tab
- (required)
Description
Writes a chemical shift list in the format used by TALOS+ (Shen et al., J. Biomol. NMR 44, 213-223 (2009)). This command is used by the talos macro that generates angle restraints from chemical shifts.
Example
The following is an example of a chemical shift list for TALOS+:
REMARK Chemical shift list for TALOS DATA SEQUENCE GSSGSSGEVQ KPLHEQLWYH GAIPRAEVAE LLVHSGDFLV RESQGKQEYV DATA SEQUENCE LSVLWDGLPR HFIIQSLDNL YRLEGEGFPS IPLLIDHLLS TQQPLTKKSG DATA SEQUENCE VVLHRAVPSG PSSG VARS RESID RESNAME ATOMNAME SHIFT FORMAT %4d %1s %4s %8.3f 8 E N 121.23 8 E H 8.26 8 E CA 55.67 8 E HA 4.05 8 E CB 27.75 9 V N 117.96 9 V H 7.88 9 V CA 61.49 9 V HA 3.91 9 V CB 29.85