This directory contains some examples for ANALYZE:

drwxr-xr-x   4 al4      ykjy        2048 Jun 23 11:11 cluster/

contains the examples of clustering

drwxr-xr-x   3 al4      ykjy        2048 Jun 23 11:41 morass/

contains the examples of NMR fitting.

-rwxr-xr-x   1 al4      ykjy         360 Jun 23 11:55 runall.csh*

the script to run all of them; just type ./runall.csh, once you have 
installed the package. Each of the botton-level directories contains
the OUT subdirectory with the outputs run on an IBM SP2.

Cluster analysis examples:

drwxr-xr-x   4 al4      ykjy        2048 Jun 23 12:10 MINTREE/

minimal-tree clustering.

-rw-r--r--   1 al4      ykjy         287 Jun 23 11:28 otv16cl_tree.inp

main input file for minimal-tree clustering (oxytocin)

-rw-r--r--   1 al4      ykjy       83300 Jun 23 11:11 outo.otv16cl

the corresponding input dihedral-angle file

./cluster/MINVAR:

minimum-variance clustering.

-rw-r--r--   1 al4      ykjy         268 Jun 23 11:13 otv16cl.inp

main input file for minimum-variance clustering.

-rw-r--r--   1 al4      ykjy       83300 Feb 10 1996  outo.otv16cl

the corresponding input dihedral-angle file

NMR-fitting examples:

./morass/FITTING/least_squares:

pure least-squares fitting with no entropy term.

-rw-r--r--   1 al4      ykjy         627 Jun 23 00:42 dansylD.inp

main input file (enkephalin analog)

-rw-r--r--   1 al4      ykjy        5133 Jun 22 23:56 dansylD.noe

file with experimental NOE intensities

-rw-r--r--   1 al4      ykjy      171476 Jun 22 23:56 outo.dansylD_clust

input dihedral-angle file

./morass/FITTING/maxent:

maximum-entropy fitting example

-rw-r--r--   1 al4      ykjy         588 Jun 23 11:39 dansylD.inp

main input file (enkephalin analog)

-rw-r--r--   1 al4      ykjy        5133 Jun 22 23:47 dansylD.noe

file with experimental NOE intensities

-rw-r--r--   1 al4      ykjy      171476 Jun 22 23:47 outo.dansylD_clust

input dihedral-angle file

