Hello,
I am trying to run I-TASSER locally. Everything works well until it gets to the threading portion with wMuster:
horto@LAPTOP-MPAF31S5:/mnt/c/Users/horto/Downloads/I-TASSER/I-TASSER5.1$ $pkgdir/mnt/c/Users/horto/Downloads/I-TASSER/I-TASSER5.1/I-TASSERmod/runI-TASSER.pl -libdir /mnt/c/Users/horto/Downloads/I-TASSER/ITLIB/ -seqname P03126 -datadir /mnt/c/Users/horto/Downloads/I-TASSER/ITDATA -ntemp 1 -nmodel 1
Your setting for running I-TASSER is:
-pkgdir = /mnt/c/Users/horto/Downloads/I-TASSER/I-TASSER5.1
-libdir = /mnt/c/Users/horto/Downloads/I-TASSER/ITLIB
-java_home = /usr
-seqname = P03126
-datadir = /mnt/c/Users/horto/Downloads/I-TASSER/ITDATA
-outdir = /mnt/c/Users/horto/Downloads/I-TASSER/ITDATA
-runstyle = serial
-homoflag = real
-idcut = 1
-ntemp = 1
-nmodel = 1
-light = false
-hours = 50
-LBS = false
-EC = false
-GO = false
1. make seq.txt and rmsinp
Your protein contains 158 residues:
> P03126
MHQKRTAMFQDPQERPRKLPQLCTELQTTIHDIILECVYCKQQLLRREVYDFAFRDLCIV
YRDGNPYAVCDKCLKFYSKISEYRHYCYSLYGTTLEQQYNKPLCDLLIRCINCQKPLCPE
EKQRHLDKKQRFHNIRGRWTGRCMSCCRSSRTRRETQL
2.1 run Psi-blast
2.2 Secondary structure prediction was done before.
2.3 Predict solvent accessibility...
2.4 run pairmod
2.4.1 Use all templates
2.4.2 running pair ................
FORTRAN STOP
30000 6379375 total lib str & residues
number of observations 15.84338 1186542.
pair done
3.1 do threading
start serial threading PPAS
/tmp/horto/ITP03126
/mnt/c/Users/horto/Downloads/I-TASSER/ITDATA/PPAS_P03126
hostname: LAPTOP-MPAF31S5
starting time: Wed Apr 24 15:57:36 DST 2019
pwd: /tmp/horto/ITP03126
running zalign .....
ending time: Wed Apr 24 16:04:14 DST 2019
start serial threading dPPAS
/tmp/horto/ITP03126
/mnt/c/Users/horto/Downloads/I-TASSER/ITDATA/dPPAS_P03126
hostname: LAPTOP-MPAF31S5
starting time: Wed Apr 24 16:04:16 DST 2019
pwd: /tmp/horto/ITP03126
running zalign .....
ending time: Wed Apr 24 16:33:00 DST 2019
start serial threading dPPAS2
/tmp/horto/ITP03126
/mnt/c/Users/horto/Downloads/I-TASSER/ITDATA/dPPAS2_P03126
hostname: LAPTOP-MPAF31S5
starting time: Wed Apr 24 16:33:02 DST 2019
pwd: /tmp/horto/ITP03126
running zalign .....
ending time: Wed Apr 24 16:36:22 DST 2019
start serial threading Env-PPAS
/tmp/horto/ITP03126
/mnt/c/Users/horto/Downloads/I-TASSER/ITDATA/Env-PPAS_P03126
hostname: LAPTOP-MPAF31S5
starting time: Wed Apr 24 16:36:24 DST 2019
pwd: /tmp/horto/ITP03126
running zalign .....
ending time: Wed Apr 24 17:04:19 DST 2019
start serial threading MUSTER
/tmp/horto/ITP03126
/mnt/c/Users/horto/Downloads/I-TASSER/ITDATA/MUSTER_P03126
hostname: LAPTOP-MPAF31S5
starting time: Wed Apr 24 17:04:20 DST 2019
pwd: /tmp/horto/ITP03126
running Psi-blast .....
running zalign .....
#2 residue inconsistent ! /mnt/c/Users/horto/Downloads/I-TASSER/ITLIB/DEP/3iz5a1.dep 129 64
==>2fk4A 2fk4A 11.4804208214746 7.65086170354854
2fk4A 2fk4A 38 38
score_flag=1
ending time: Wed Apr 24 18:00:43 DST 2019
start serial threading wPPAS
/tmp/horto/ITP03126
/mnt/c/Users/horto/Downloads/I-TASSER/ITDATA/wPPAS_P03126
Exception in thread "main" java.lang.ArrayIndexOutOfBoundsException: Index 66 out of bounds for length 66
at d.a(d.java)
at d.main(d.java)
hostname: LAPTOP-MPAF31S5
starting time: Wed Apr 24 18:00:48 DST 2019
pwd: /tmp/horto/ITP03126
running Psi-blast .....
ending time: Wed Apr 24 19:11:19 DST 2019
start serial threading wdPPAS
/tmp/horto/ITP03126
/mnt/c/Users/horto/Downloads/I-TASSER/ITDATA/wdPPAS_P03126
Exception in thread "main" java.lang.ArrayIndexOutOfBoundsException: Index 66 out of bounds for length 66
at c.a(c.java)
at c.main(c.java)
hostname: LAPTOP-MPAF31S5
starting time: Wed Apr 24 19:11:22 DST 2019
pwd: /tmp/horto/ITP03126
running Psi-blast .....
ending time: Wed Apr 24 20:40:06 DST 2019
start serial threading wMUSTER
/tmp/horto/ITP03126
/mnt/c/Users/horto/Downloads/I-TASSER/ITDATA/wMUSTER_P03126
Exception in thread "main" java.lang.ArrayIndexOutOfBoundsException: Index 75 out of bounds for length 75
at e.main(e.java)
Illegal division by zero at /mnt/c/Users/horto/Downloads/I-TASSER/ITDATA/wMUSTER_P03126 line 570.
hostname: LAPTOP-MPAF31S5
starting time: Wed Apr 24 20:40:13 DST 2019
pwd: /tmp/horto/ITP03126
running Psi-blast .....
running Psi-blast .....
3.2 make restraints
without init: /mnt/c/Users/horto/Downloads/I-TASSER/ITDATA/init.wMUSTER
type= easy, n_good= 7, M0= 7, M1_for_medm=1.4, n_sg= 7 role=SEQ
1 gap_terminal=N gap_location= 85 by MUSTER
2 gap_terminal=N gap_location= 85 by dPPAS
3 gap_terminal=N gap_location= 85 by wdPPAS
4 gap_terminal=N gap_location= 85 by wPPAS
5 gap_terminal=N gap_location= 85 by dPPAS2
6 gap_terminal=N gap_location= 85 by PPAS
7 gap_terminal=N gap_location= 85 by Env-PPAS
domain2=yes
------ n_link_old= 85-------------
------ 2 domain proteins: 85-------------
type=easy----n_temp_use_for_restraints=7
4.1 run simulation
run 14 serial simulations
run simulation job 1 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 2 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 3 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 4 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 5 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 6 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 7 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 8 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 9 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 10 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 11 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 12 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 13 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 14 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
5.1 do clustering
No. of trajectory files: 0
I would appreciate any form of help. Thank you in advance.