ENVIRONMENTS reads an input coordinate file in PDB format and
a secondary structure file also in PDB format and writes out
Area Buried, Fraction Polar, Secondary Structure and the
Environment Class for each residue.
It will ask for the following:
1) A coordinate file in PDB format
2) A secondary structure file in PDB format. The secondary
structure can be read from the PDB file directly if its
present in the header. Otherwise you have to create a
secondary structure file. All the program cares about is
the type of secondary structure, i.e., whether its a HELIX
or SHEET record and the residue numbers. Other information
in the lines are ignored. IT IS IMPORTANT TO DESIGNATE THE
SECONDARY STRUCTURE OR THE ENVIRONMENT CLASSES WILL BE
ASSIGNED INCORRECTLY.
3) A name for the output file.
4) Write out all the chains (A) or just the unique one (U). If
U is entered, the program will determine the lengths of each
chain and only write out one chain of a particular length.
ALL CHAINS ARE WRITTEN TO THE SAME FILE. AT THIS POINT YOU
MUST EDIT THE OUTPUT FILE TO DELETE CHAINS YOU DON'T WANT TO
CALCULATE A PROFILE FOR. If you edit the environment file,
leave two periods '..' anywhere in the header in the line just
before the data. This will signal PROFILER_3D that it should
start reading data on the next line. Nothing else in the
header matters.