hello , all , I have used the version haddock2.4-2021-05 , when I was running the examples , there are some troubles with me :
% cd software/haddock2.4
% source haddock_configure.csh
% cd examples/protein-protein
% haddock2.4
and then , I have edit the run.cns
% cd run1
% haddock2.4
Starting HADDOCK on: 2021-10-07 17:23:26
HADDOCK version: 2.4 - May 2021 release
Python version: 2.7.17 (default, Feb 27 2021, 15:10:58)
[GCC 7.5.0]
parsing run.cns file
parsing run.param in /home/work/software/haddock2.4/examples/protein-protein/run1/data
reading parameters from the file /home/work/software/haddock2.4/examples/protein-protein/run1/data/run.param
setting some variables:
N_COMP set to: 2
PROJECT_DIR set to: .
HADDOCK_DIR set to: …/…
RUN_NUMBER set to: 1
PROT_SEGID_2 set to: B
PROT_SEGID_1 set to: A
PDB_FILE1 set to: ./e2aP_1F3G.pdb
AMBIG_TBL set to: ./e2a-hpr_air.tbl
PDB_LIST2 set to: ./hpr-files.list
PDB_FILE2 set to: ./hpr/hpr_1.pdb
N_COMP 2
PROJECT_DIR .
HADDOCK_DIR …/…
RUN_NUMBER 1
PROT_SEGID_2 B
PROT_SEGID_1 A
PDB_FILE1 ./e2aP_1F3G.pdb
AMBIG_TBL ./e2a-hpr_air.tbl
PDB_LIST2 ./hpr-files.list
PDB_FILE2 ./hpr/hpr_1.pdb
looking for existing files
There is a problem with the CNS executable defined in run.cns:
./protocols/cns1: Command not found.
=> HADDOCK stopped
I have found the cns1 file , and double click shows that :
This link cannot be used because its target “/opt/nmr/cns_solve_1.31-UU/mac-intel-darwin/bin/cns” doesn’t exsit .
Any suggestions ?
and some times I have perform the run.param , but the run.cns file is not generated in run1 .