[ghemical-devel] compiling without GUI

[Tommi Hassinen]

On Tue, 3 Jun 2003, Joerg K. Wegner wrote:

> Hello,
>
> is there any elegant way to compile and test Ghemical MM without GUI ?

Hello.

Yep, this is possible. To make this kind of stuff easier than what it was
before, the package is now split into separate "libghemical" and
"ghemical" packages in CVS. This is perhaps not apparent, since we haven't
yet released any versions after this split event.

So please checkout the HEAD revisions of "libghemical" and "ghemical"
modules from bioinformatics.org CVS. Or, if you like, just email me
privately and I'll send you the copies as email attachments.

The "libghemical" package now contains all stuff other than graphics and
file-I/O related parts. In "libghemical" sources there also is a directory
src/simple_test, that contains an example program that you might wish to
see; if I remember correctly it reads in an .gpr file, does the setup for
molecular mechanics, and runs a short geometry optimization.

Regards,

	Tommi