Hello!
I'm using STRUM application for calculating ddg of protein point mutations but getting trouble in getting the final results due to some trouble in scikit (i suppose).
Enclosed find running.log file of my run. All the applications, until foldX, are running immaculately; however, scikit is producing some error.
1. In installed Scikit as mentioned in the STRUM installation guidelines. for say
Initially, I passed as command scl enable python27 bash to update my python to 2.7 version which has 1.7 version of scipy (as per requirement).
Then, I passed following command to compile scikit
cd $strum
> tar zxvf scikit-learn-0.17.tar.gz
> cd scikit-learn-0.17
To install in your directory use:
> mkdir $STRUM/python
> python setup.py install --prefix $STRUM/python
This generated a folder named 'python' under my working directory (STRUM/python/lib64/python2.7/site-packages). In this folder, lib is lib64 so i changed accordingly in the runSTRUM.pl file ($scikit="/home/gnss/singhma/STRUM/python/lib64/python2.7/site-packages";).
- in my system python 2.7 is installed under root permission.
I hope everything is ok until here? WDYT?
Then, finally I ran the ddg calculation command "./runSTRUM.pl -dataset -pdb 1arrA.pdb -mutation S35G &
The attached running.log is the outfile of above narrated protocol.
Please guide me where did I mess up the things.