PDB_EXTRACT - Extract data from PDB files

PDB_EXTRACT is a utility routine that can be used to extract certain columns from certain lines of a PDB (Protein Database) file. Right now, the controls for which lines are to be considered, and what data is to be extracted, are hardwired into the code. For instance, we might want to consider every line in which the fourth word is "CA", and for those lines, we would write out columns 9 and 10.

Files you may copy include:

• PDB_EXTRACT.F90, the source code;
• INPUT.TXT, a sample input file;
• OUTPUT.TXT, a sample output file;

The list of routines includes:

• PDB_EXTRACT extracts data from a PDB file.
• 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.
• GET_UNIT returns a free FORTRAN unit number.
• S_TO_R reads a real number from a string.
• WORD_FIND finds the word of a given index in a string.

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