[Dock-fans] dms install on Linux alongside Chimera and Dock6.1

Francesco Pietra chiendarret at yahoo.com
Sun Sep 30 08:44:50 PDT 2007


I have installed (AS USER in Debian Linux amd64)

AMBER9 and DOCK6.1 in:

/usr/local/amber9

/usr/local/dock6

Serial and parallel tests for dock passed, though to use amber score I have to
undefine AMBER. If not, Antechamber of dock calls divcon, which only exists in
amber9 (known issue I learned).

Then, on the same machine, I have installed (AS USER) dms (starting from
dms.shar) in

/usr/local/dms

Is it possible to carry out tests for dms? Having scarce experience in
compilations, I found a number of problems with dms. Editing GNUmakefile

/usr/local/dms/lib (for LIBDIR)

and

/usr/local/dms/bin (for BINDIR)

and creating such directories, was met with failure, contrary to expectations
from the README: regular file '/usr/local/man/man1' can't be created.
Therefore, I created such directories and further edited GNUmakefile as
follows:

PDBINC = /usr/local/dms/libpdb

PDBLIB = /usr/local/dms/libpdb

MANDIR = /usr/local/man/man1


"make install" exited without error warnings.


dms.1 is now located in 

/usr/local/dms/man/man1/dms.1

and a "man" link was created:

/usr/local/man/man1/man3

where "man1" contains mpich++.1 mpicc.1.. etc and a link mpiCC.1, while "man3"
contains various Troff documents, such as MPI.3 etc.

I do not understand if this complex situation stems from a wrong editing of
GNUmakefile. 

I did nothing for parallelization. Is that easily feasible for my amd64 machine
with shared memory?
__________
I have installed Chimera 1,2422 on a Debain Linux i386 desktop scp linked to
the above machine. The Chimera window opens, though I did not try to use it
yet.
__________

Thanks

francesco pietra



       
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