WIDTH - CHARMM Histogram Utility

WIDTH is a simple utility for use with the biomedical program CHARMM. The command:

width bin_min bin_max

• reads the file zinfo.dat, which is presumed to contain exactly 1000 lines of pairs of (X,Y) data,
• creates 50 bins for the data in column 2, from BIN_MIN to BIN_MAX,
• writes the bin data to the file hist.dat,
• writes a version of the bin data to a plot file hist.plot.

Files you may copy include:

• width.f90, the source code;
• zinfo.dat, an input data file;
• hist.dat, the output histogram data.
• hist.plot, a file of plot data, in PLOT format.
• hist.ps, a PostScript file, created by running PLOT_TO_PS on HIST.PLOT.

The list of routines includes:

• WIDTH produces a histogram of certain data from CHARMM.
• C_CAP capitalizes a single character.
• C_EQI is a case insensitive comparison of two characters for equality.
• C_TO_DIGIT returns the integer value of a base 10 digit.
• COUNT_TO_PERCENT converts the histogram Y counts to percentages.
• GET_UNIT returns a free FORTRAN unit number.
• HISTOGRAM_FILE_WRITE creates a plot file of histogram data.
• R_TO_S_LEFT writes a real into a left justified character string.
• READ_INPUT reads the input data file.
• RVEC_BIN computes bins based on a given real vector.
• S_TO_R reads a real number from a string.
• S_LEFT flushes a string left.
• WRITE_OUTPUT writes the output histogram file.

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