Read peaks

read_peaks

Parameters

file=filename.peaks (required)

weight=real

(default: 1.0)

unknown=error|warning|skip

(default: error)

Description

Reads a Xeasy (Bartels et al., 1995) peak list. Volumes are scaled with the weight factor w. The filter option allows to skip peaks with comments that match one of the strings s1,s2,... For 3D NOESY peak lists, the format, i.e. the order in which chemical shifts and assignments are given in the peak list, may be specified. The format string has one character per dimension that identifies the column of 15N or 13C atoms ("N" or "C"), the column of protons bound to 15N or 13C ("H"), and the column of "independent" protons ("h"). If the format parameter is absent, the program uses the format given in the peak list header line "#CYANAFORMAT string", or, if no such header line is present, tries to determine the format from the peak assignments (if possible). Regardless of this input order CYANA permutes these dimensions to "hHN" or "hHC" in 3D lists so that dimension 3 is always the heteroatom dimension and dimension 2 is the proton dimension coupled to it. The option reference is used to read in a peak list as reference list for NOAH. Optionally, only integrated peaks, i.e. those with an integration method flag different from "-", or only assigned peaks, i.e. those that are assigned in both proton dimensions, are read. Optionally, the peaks are appended to those already present.

read peaks n15 format=NhH filter=overlap Reads a peak list named "n15.peaks". The three columns for the chemical shifts and the corresponding assignments in the peak list file refer to 15N, the "independent" proton, and the proton bound to 15N. Peaks with comment "overlap" are skipped.