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Dear Xiaogen
thanks for your response. The contents of my uniclust30 folder can be seen in Figure 4
I thank you for helping me.
best regards

Please rename your 'uniclust30' folder to 'uniclust30_2017_04'. Otherwise, the program won't be able to locate 'uniclust30_2017_04_a3m_db'. You can refer to line 161 in the 'runDEMO.py' script for clarification.

Dear Xiaogen
As you said. I changed the e name of the 'uniclust30' folder to 'uniclust30_2017_04(figure6) and also changed the address in the run_DEMO2.py file(figure5). but I got the error "the library is not complete. Please check it!" again.
what is the problem and how can I solve it?
thanks for your helping
best regards

Please carefully check lines 56 and 161 in 'run_DEMO2.py'. Ensure that 'hhblitsdb + "_a3m_db"' exists in your library. It's important to note that in line 56, 'hhblitsdb' should be set as your 'uniclust30' directory plus 'uniclust30_2017_04'.

Thanks,
Xiaogen

Dear Xiaogen
I checked the 'run_DEMO2.py' the lone 56 is line 55 and the line 161 is 146(figure 9) in my file. I set the path of uniclust30_2017_04 in line 55 of my run_DEMO2.py file. Also, I checked that 'hhblitsdb + "_a3m_db"' file existed in the uniclust30_2017_04 directory. I found that this file existed in the uniclust30_2017_04 directory(Figure 8) with a file size of 50GB(Figure 7). so, I do not know what should I do now. please help me this this matter
best regards.

Could you please show me the settings of NR_DB, hhblitsdb, jackhmmerdb, hmmsearchdb, and MDlibpath in lines 55-59 of runDEMO.py.
And please show me the content in local_library folder.

Best wishes,
Xiaogen

Dear Xiaogen
the settings of NR_DB, hhblitsdb, jackhmmerdb, hmmsearchdb, and MDlibpath in lines 55-59 of runDEMO.py can be see in Figure 10. The content of local_library folder can be seen in Figure 6.

Please change your settings to:

NR_DB = "/mdeia/ravis/data/DEMO/local_library/nr/nr"
hhblitsdb = "/mdeia/ravis/data/DEMO/local_library/uniclust30_2017_04/uniclust30_2017_04"
jackhmmerdb = "/mdeia/ravis/data/DEMO/local_library/uniref90.fasta/uniref90.fasta"
hmmsearchdb = "/mdeia/ravis/data/DEMO/local_library/metaclust/metaclust_2017_05.clean.fasta"
MDlibpath = "/mdeia/ravis/data/DEMO/local_library/multidomain_protein_CA"

Please confirm whether the following files exist:
1. "/mdeia/ravis/data/DEMO/local_library/uniclust30_2017_04/uniclust30_2017_04_a3m_db"
2. "/mdeia/ravis/data/DEMO/local_library/uniref90.fasta/uniref90.fasta"
3. "/mdeia/ravis/data/DEMO/local_library/metaclust/metaclust_2017_05.clean.fasta"

Best wishes,
Xiaogen

dear Xiaogen
thanks for your response. I changed the path address of all libraries in the run_DEMO2.py file as you said in your previous message(Figure 11). I have one question why I should repeat the nr directory two times in the path for example /nr/nr and uniclust30_2017_04/uniclust30_2017_04? I also checked that I have these files:uniclust30_2017_04_a3m_db, uniref90.fasta, and metaclust_2017_05.clean.fasta in the library directory. I have all of them except this file metaclust_2017_05.clean.fasta. instead of metaclust_2017_05.clean.fasta file I have metaclust.fasta file with a volume of 164.0 GB (Figure 15). so, I changed the name of this file to metaclust_2017_05.clean.fasta put the path in the run_DEMO2.py file. is it correct? then I ran the Demo command and I got this information( Figure 14). Is DEMO now running correctly?
thanks so much for your help
best regards

The first nr is your folder name and the second nr is the file name in the folder. Same as uniclust30_2017_04.
The settings of DEMO is correct now. But you should also change the settings of hhblitsdb, jackhmmerdb, and hmmsearchdb (lines 32-35) in /mdia/ravis/data/DEMO/external/runDistPre.pl. Otherwise, you cannot run DeepPotential for distance prediction.

Best wishes,
Xiaogen