Read prot: Difference between revisions
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= read_prot = | |||
== Parameters == | == Parameters == | ||
Latest revision as of 19:18, 28 January 2009
read_prot
Parameters
- file=filename.prot (required)
- deviation=real
- (default: 1.0E10)
- reference
- append
- add
- multiple
- index
- unknown=error|warning|skip
- (default: error)
Description
Reads a Xeasy chemical shift list. A warning message is printed if chemical shifts are present simultaneously for an atom and its corresponding pseudo atom. Optionally, only chemical shifts of currently unassigned atoms are added. For chemical shifts that are present in both lists and that differ by more Dw (in ppm), a warning is printed.