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

[Scott Brozell]

Hi,

On Sun, 30 Sep 2007, Francesco Pietra wrote:

> 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

Try this tutorial:
http://dock.compbio.ucsf.edu/DOCK_6/tutorials/sphere_generation/generating_spheres.htm

> 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.


It is not clear that there is a problem.
Does this file exist
/usr/local/dms/bin/dms
?
If so then you a dms executable which is probably all you need.

> I did nothing for parallelization. Is that easily feasible for my amd64 machine
> with shared memory?


Probably.

Scott

> 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.