Re: CCL:InsightII/UNIX

 Dear Danilo
 I am not sure if you can do it with a Unix command, but below is an
 insightII BCL script (get_frame.log) that extracts a single frame
 (number 51 in this example) from a history file and writes out a
 PDB file called frame.pdb. You will need to substitute in the names
 of your own molecule files.
 If you do not want graphics you can run insightII with the
         insightII -at
 then type
         source get_frame.log
 at the command line.
 If you set a Unix environment variable as follows
     setenv INSIGHT_INIT_LOCAL get_frame.log
 Then when insightII starts up the script will be automatically
 run, the single frame extracted and insightII will exit.
 Hope this helps.
 Get Molecule Archive Frame 1 BDGLC0 -Reference_Object
 Get Trajectory bdglc0.his BDGLC0 -Load_Velocities -Load_Pressure -Load_Cell
 Range 1 end 1
 Conformation Trajectory Frame 51
 Put Molecule PDB BDGLC0 frame.pdb -Transformed -Displayed -Insight_Style
 quit on
 Danilo Gonzalez wrote:
 > Hi All!
 > I'm working with InsightII and Discover. Anybody know how can I take
 > only one conformation from a history file (*.his) using only UNIX
 > command? (don't using display mode), if is possible
 > Thanks a lot!
 > Dr. Danilo Gonzalez
 > University of Santiago of Chile
 > Faculty of Chemistry and Biology
 > Casilla 40, Correo 33, CHILE.
 > -= This is automatically added to each message by mailing script =-
 > CHEMISTRY |-at-| -- To Everybody  | CHEMISTRY-REQUEST |-at-| -- To Admins
 > CHEMISTRY-SEARCH |-at-| -- archive search    |    Gopher: 70
 > Ftp:  |  WWW:   | Jan: jkl |-at-|
   Dr Mark J Forster Ph.D.
   Principal Scientist
   Informatics Laboratory
   National Institute for Biological Standards and Control
   Blanche Lane, South Mimms,
   Hertfordshire EN6 3QG, United Kingdom.
   Tel  +44 (0)1707 654753
   FAX  +44 (0)1707 646730
   E-mail  mforster |-at-|