Dear All,
You may have already heard about sleap, it is a re-implementation of tleap,
and we want to use it to replace tleap in the next AMBER release. I
have been
working on it and testing it in the last several months, now I think it
is ready
to be tested by normal users.
How to obtain?
It have been put into CVS under directory amber10/src/gleap/
How to install?
simply do the following:
cd xxx/amber10/src/gleap
make
the executables will be copy to amber10/exe/
How to test?
Before all, please set environment AMBERHOME to xxx/amber10/, since
sleap need
it to find data files, AMBERHOME set to xxx/amber9/ might will cause
strange behavior
since the data file have changed between the two version.
After setting AMBERHOME, please go to directory
amber10/src/gleap/leaptst, there are
some test cases in that directory, simply type "make" to run them.
How to use?
Again, you must set AMBERHOME correctly before using sleap.
The usage of sleap is similar to tleap. You can write a script file,
pipe it to sleap or use
it interactively. Please see the test cases for demostration.
How to report a bug?
If encountering any problems, please send e-mails to this mailing list
or directly to me
(zweig.scripps.edu), please attach all your input files: leap scripts,
sleap output,
and pdb files (if any). I will get back to you as soon as possible.
Sincerely,
Wei
Received on Wed Apr 18 2007 - 06:07:19 PDT
