Dear, I have finished running the program of I-TASSER, this is the result, the five result models are empty.
Your setting is:
-libdir =/home/rcrg4/class_project/tool/I-TASSER
-seqname =seq.fasta
-datadir =/home/rcrg4/class_project/tool/I-TASSER/data
-usrname =rcrg4
-runstyle =serial
-homoflag =real
-idcut =1
-ntemp =20
-nmodel =5
1. make seq.txt and rmsinp
2.1 run Psi-blast
2.2 run psipred
2.3 run solve
2.4 run pairmod
2.4.1 removing homology templates based on real and 1
2.4.2 running pair ................
3.1 do threading
start threading QQQ
hostname: mu-083194
starting time: Mon Oct 31 12:58:54 CDT 2011
pwd: /tmp/rcrg4/ITseq.fasta
running Psi-blast .....
running zalign .....
./zalign 7.01 0.55 0.66 1.6 -0.99 0.31 0.19 0 1.0 0.39 0.19
==>3pqjA 3pqjA 18.6144408646455 14.1603979548676
3pqjA 3pqjA 68 68
score_flag=1
ending time: Mon Oct 31 13:44:21 CDT 2011
start threading GGGd
hostname: mu-083194
starting time: Mon Oct 31 13:44:25 CDT 2011
pwd: /tmp/rcrg4/ITseq.fasta
running zalign .....
ending time: Mon Oct 31 13:54:25 CDT 2011
start threading GGGf
hostname: mu-083194
starting time: Mon Oct 31 13:54:30 CDT 2011
pwd: /tmp/rcrg4/ITseq.fasta
running zalign .....
ending time: Mon Oct 31 14:00:23 CDT 2011
start threading SSSc
hostname: mu-083194
starting time: Mon Oct 31 14:00:25 CDT 2011
pwd: /tmp/rcrg4/ITseq.fasta
running zalign .....
ending time: Mon Oct 31 14:32:37 CDT 2011
3.2 make restraints
4.1 run simulation
run 14 serial simulations
run simulation job 1 / 14
run simulation job 2 / 14
run simulation job 3 / 14
run simulation job 4 / 14
run simulation job 5 / 14
run simulation job 6 / 14
run simulation job 7 / 14
run simulation job 8 / 14
run simulation job 9 / 14
run simulation job 10 / 14
run simulation job 11 / 14
run simulation job 12 / 14
run simulation job 13 / 14
run simulation job 14 / 14
5.1 do clustering
No. of trajectory files: 62
8.000000 3.500000 12.00000
5.2 build full-atomic model
FORTRAN STOP
mv: cannot stat `/home/rcrg4/class_project/tool/I-TASSER/data/emmcclosc1.pdb.h': No such file or directory
mv: cannot stat `/home/rcrg4/class_project/tool/I-TASSER/data/hemmcclosc1.pdb': No such file or directory
FORTRAN STOP
mv: cannot stat `/home/rcrg4/class_project/tool/I-TASSER/data/emmcclosc2.pdb.h': No such file or directory
mv: cannot stat `/home/rcrg4/class_project/tool/I-TASSER/data/hemmcclosc2.pdb': No such file or directory
FORTRAN STOP
mv: cannot stat `/home/rcrg4/class_project/tool/I-TASSER/data/emmcclosc3.pdb.h': No such file or directory
mv: cannot stat `/home/rcrg4/class_project/tool/I-TASSER/data/hemmcclosc3.pdb': No such file or directory
FORTRAN STOP
mv: cannot stat `/home/rcrg4/class_project/tool/I-TASSER/data/emmcclosc4.pdb.h': No such file or directory
mv: cannot stat `/home/rcrg4/class_project/tool/I-TASSER/data/hemmcclosc4.pdb': No such file or directory
FORTRAN STOP
mv: cannot stat `/home/rcrg4/class_project/tool/I-TASSER/data/emmcclosc5.pdb.h': No such file or directory
mv: cannot stat `/home/rcrg4/class_project/tool/I-TASSER/data/hemmcclosc5.pdb': No such file or directory
[3]- Done ./runI-TASSER.pl -libdir /home/rcrg4/class_project/tool/I-TASSER -seqname seq.fasta -datadir /home/rcrg4/class_project/tool/I-TASSER/data -usrname rcrg4
I check the output, emmcclosc1*.pdb file is empty, closc*.pdb and combo*.pdb have 8kb, and there are several other files, such as out*, rep1.*.bz2,seq.*,in*....
I run the last step, EMrefinement.pl, and I find this result:
./EMrefinement.pl /home/rcrg4/class_project/tool/I-TASSER/data2 /home/rcrg4/class_project/tool/I-TASSER/abs/mybin closc1.pdb combo1.pdb seq.fasta rcrg4
FORTRAN STOP
mv: cannot stat `/home/rcrg4/class_project/tool/I-TASSER/data2/emmcclosc1.pdb.h': No such file or directory
I also check each step for EMrefinement.pl, and I find in line 24:`$libdir/HAAD $datadir/emmc$refname`; do not work, because the emmc$rename is empty, it seems the PDB files for refinement have something wrong, I also put the result file closc1.pdb and combo1.pdb in the attachment, could you please help me to check the result? Which step is wrong? I really appreciate your help.