[ccp4bb]: SUMMARY: Recompiling CNS ??

[raji <raji@lamar.colostate.edu>]

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Hi All,
I was able to fix my problems, thanks to your suggestions. 
Here is a summary:
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cd to directory ???/cns_solve_1.1/source
supposing MAXA is a parameter and being aware that fortran is 
case-insensitive, you:
         grep -i MAXA * |grep -i parameter
which gives:
         angledb.inc: PARAMETER (MAXANGLEDBCLASSES = 200)
         cnst.inc: PARAMETER (MAXA2=MAX_ATOM)
         coord.inc: PARAMETER (MAXAT3=MAX_ATOM)
         coordc.inc: PARAMETER (MAXAT4=MAX_ATOM)
         deriv.inc: PARAMETER (MAXAT5=MAX_ATOM)
         genic.f: & 'exceeded MAXA parameter --> recompile program')
         genic.f: & 'exceeded MAXA parameter --> recompile program')
         * mtf.inc: PARAMETER (MAXA=MAX_ATOM)
         mtfio.f: & 'MAXA parameter exceeded --> recompile program')
         mtfio.f: & 'MAXA parameter exceeded --> recompile program')
         psfio.f: & 'exceeded MAXA parameter --> recompile program')
         rtf.inc: PARAMETER (MAXAT2=1000)
         rtfio.f: & 'exceeded MAXAT2 (RTF) parameter --> recompile program')
         xmaxl.f: PARAMETER (MAXARG = 250.0D0, MINVAL = 10.0D0, MAXVAL 
=250.0D0)
         xmaxl.f: PARAMETER (MAXARG = 250.0D0, MINVAL = 10.0D0, MAXVAL 
=250.0D0)
         xpeakpik.f: & 'exceeded MAXA parameter --> recompile program')
         The 8'th line shows MAXA is set to MAX_ATOM in mtf.f
         So you grep for a parameter MAX_ATOM:
         grep -i MAX_ATOM * | grep -i parameter
         And the very first occurrence gives:
         cns.inc: PARAMETER (MAX_ATOM=40000)
         So you edit cns.inc and in the line above change 40000 to some larger 
number.
Hope that's the only place it gets set.
then cd .. to the main cns directory and "make" the installation as when you
first installed. If someone else installed originally you might ask her to
help with this. If that person is on vacation and you don't have write access
to the directories, or you are concerned about possibly corrupting a good
install of CNS, you can cp -r the directory to your own disk space and
follow the instructions in the Readme:
Please see the HTML documentation for detailed installation instructions
and trouble shooting information. To install on any platform:
- cd to the CNSsolve directory
- modify the file cns_solve_env to define the location of CNSsolve
- type 'make install'
- source cns_solve_env prior to using CNSsolve
Now you have two cns installations. You determine which is effective by which
cns_solve_env you source in your .tcshrc or wherever.
----------------------------------------------------------------
MAXA=MAX_ATOM which is in the cns.inc file in the source subdirectory of your 
cns installation
----------------------------------------------------------------
You are right in that MAXA corresponds to max. no. of atoms. You can
change the parameter in 'cns.inc' file. The file is located in the
directory $CNS_SOLVE/source
In the very beginning of file you will see
         C=================================================================
         C
         C maximum number of atoms
         C
         INTEGER MAX_ATOM
         PARAMETER (MAX_ATOM=40000)
         C
         C=================================================================
Reset MAX_ATOM to whatever # you want (be generous to put a few thousands more 
than exact # of atoms you have in the structure) and recompile the cns suite. 
It has worked for me.
------------------------------------------------------------------
Thanks
Raji

Rajeswari Edayathumangalam
Dept. of Biochemistry & Molecular Biology
Colorado State University
Fort Collins, CO 80523 USA