Subject: Query regarding AutoDock software.

From: "Raju Vishwanathan" <raju.v)at(sysarris.soft.net>
Date: Wed, 28 Apr 2004 12:55:33 +0530

Problem with AutoDock 3.0.5. Installed AutoDock in Red Hat Linux 8.0.

AutoDock FAQ point no 3 says "I used "get-dockings" to extract the docked
conformations. Where is the macromolecule?"
http://www.scripps.edu/pub/olson-web/doc/autodock/faq.html#WHERE_MACRO

	$ get-dockings xk2A.1hvr.dlg    { Its working, generates output file
xk2A.1hvr.dlg.pdb }
	$ pdbqtopdb 1hvr.pdbqs >> xk2A.1hvr.dlg.pdb      { Not working, shows the
following error}

	awk: /home/raju/src/autodock/dist305/share/pdbtopdb2.awk:49: fatal: Invalid
range end: /[0-9][+- ]/
/home/raju/src/autodock/dist305/share/fixatomnames: line 8:  1839 Broken
pipe
          sed -f $AUTODOCK_UTI/fixatomnames.sed $*
/home/raju/src/autodock/dist305/share/getpdbrecords: line 2:  1840 Broken
pipe
           egrep "^ATOM|^HETATM|^REMARK|^USER|^END |^TER|^MODEL |^ENDMDL" $*

I donot know how to solve this problem. Please let me know how to overcome
this problem.

Thanking you,
Raju Vishwanathan
Sr. Consultant - Life Science Division
SysArris Software, Bangalore, India