[Dock-fans] Problems to compile dock6.2 with zap library

Scott Brozell sbrozell at scripps.edu
Mon Nov 17 10:46:41 PST 2008


Hi,

On Mon, 17 Nov 2008, German Erlenkamp wrote:

> i want to compile dock6.2 with pbsa-capabilities. I have the zap-library
> (libOEZAP.a and oe_zap_lib.h) already, stored it in $dock/src/dock/ 
> start the configuration with 'configure gnu.pbsa' and then start the
> compilin with 'make all'
> At the beginning ti worked very well, but then it crashes with the
> >following messages:
> >score_solvent.o: In function `PBSA_Score::process_complex()':
> >score_solvent.cpp:(.text+0x13a): undefined reference to
> >`oe_get_molecule_atom_number'

Did you define ZAP_HOME ?
After you do test it with
$ ll $ZAP_HOME/
total 1740
1664 -rw-r--r-- 1 kuntz 1698512 Jun  1  2006 libOEZAP.a
   4 -rw-r--r-- 1 kuntz    4065 Oct  3  2006 oe_license.txt
  72 -rw-r--r-- 1 kuntz   69009 Jun  1  2006 oe_zap_lib.h
and with
nm $ZAP_HOME/libOEZAP.a | grep oe_get_molecule_atom_number
This should produce a numbet of lines, one of which showing the
symbol in a text section (T; see man nm):
...
         U oe_get_molecule_atom_number
00000e40 T oe_get_molecule_atom_number

Scott



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