Some frequently asked questions (FAQs) about the standalone version of ASCoVPred. |
Q.1. How to use the standalone version of ASCoVPred? |
Ans. The usage of standalone version of ASCoVPred is very easy. Following three steps need to be followed: |
1. tar -zxvf ASCoVPred_standalone.tar.gz |
2. cd ASCoVPred_standalone/ |
3. sudo perl ascovpred_predict.pl input.smi output.csv Where "input.smi" is your "input file name" and "output.csv" is "output file name" (specified by you) in which the prediction results need to be stored. |
Q.2. What should be the format of "input.smi" file? |
Ans. The "input.smi" input file may have either SMILES structures alone or SMILES structures along with compound ids in a tab-separated file format. |
Q.3. Do "output.csv" output file retain the order of molecules (as given in input file)? |
Ans. Yes, the "output.csv" output file retain the order of molecules (as given in input file). Thus, prediction results for 1st molecule shall be given in the 1st row of "output.csv" file, for 2nd molecule shall be given in the 2nd row of "output.csv" file, and so on. |
Q.4. What are the minimum system requirements to run ASCoVPred standalone? |
Ans. The ASCoVPred standalone is tested on Linux (Ubuntu 18.04 LTS; CentOS 7) and Mac operating system (OS) and implemented in Perl. Specific system requirements are as follows:
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