Error when using template restraint for I-TASSER standalone

[sambitmishra]

Hi,

I am using the I-TASSER standalone package to predict the structure of a protein of interest. Specifically, I am interested in using another protein (not in the PDB database) as template to predict the structure. The template pdb file is in fact a model from the I-TASSER webserver and is in the standard PDB format, without the PDB header. I therefore used the -restraint4 command line option followed by the file name of the template. However, I received the following error. Please suggest what can I do to address the error.

Thanks,
Sambit.

Code: Select all

host is 'cn1000'
[+] Loading pymol 2.6.0 on cn1000 
[+] Loading singularity  3.8.5-1  on cn1000 
[+] Loading I-TASSER , 5.1  on cn1000 
At line 697 of file zal3.f
Fortran runtime error: No such file or directory
Illegal division by zero at ~/A1/E1_w_restraints/MUSTER_E1_w_restraints line 609.
Exception in thread "main" java.io.FileNotFoundException: /lscratch/37995954/ITLIB.CCaA/ITLIB/DEP/7a4aA3.dep (No such file or directory)
	at java.io.FileInputStream.open0(Native Method)
	at java.io.FileInputStream.open(FileInputStream.java:195)
	at java.io.FileInputStream.<init>(FileInputStream.java:138)
	at java.io.FileInputStream.<init>(FileInputStream.java:93)
	at java.io.FileReader.<init>(FileReader.java:58)
	at c.a(c.java)
	at c.main(c.java)
Exception in thread "main" java.io.FileNotFoundException: /lscratch/37995954/ITLIB.CCaA/ITLIB/DEP/7a4aA3.dep (No such file or directory)
	at java.io.FileInputStream.open0(Native Method)
	at java.io.FileInputStream.open(FileInputStream.java:195)
	at java.io.FileInputStream.<init>(FileInputStream.java:138)
	at java.io.FileInputStream.<init>(FileInputStream.java:93)
	at java.io.FileReader.<init>(FileReader.java:58)
	at e.a(e.java)
	at e.main(e.java)
FORTRAN STOP
Traceback (most recent call last):
  File "/usr/local/apps/I-TASSER/5.1/file2html/lscore2png.py", line 59, in <module>
    lscore2png(lscore_txt,BFP_png)
  File "/usr/local/apps/I-TASSER/5.1/file2html/lscore2png.py", line 18, in lscore2png
    fp=open(lscore_txt,'rU')
IOError: [Errno 2] No such file or directory: '~/A1/E1_w_restraints/lscore.txt'
Traceback (most recent call last):
  File "/usr/local/apps/I-TASSER/5.1/file2html/file2html.py", line 591, in <module>
    file_list=file2html(sys.argv[1])
  File "/usr/local/apps/I-TASSER/5.1/file2html/file2html.py", line 518, in file2html
    Bsites_inf,EC_dat,GO_dat,MF_dat,BP_dat,CC_dat,
  File "/usr/local/apps/I-TASSER/5.1/file2html/file2html.py", line 50, in make_html
    fp=open(cscore_txt)
IOError: [Errno 2] No such file or directory: '~/A1/E1_w_restraints/cscore'

[jlspzw]

Dear user,

It seems that you lost some templates in your library. Can you check if 7a4aA3.dep is in your $ITLIB/DEP folder? If not, then try re-download your library.

Best
IT team