About the outputs

[thuxugang]

Hi, thanks for the great work! I am wondering which results are the final iScore. Is it the last column in ScorePredict.dat? Many thanks :)

[thuxugang]

by the way, when i use the output from ZDock, i get this: #Name nGraphRank nEVDW nEC nEDESOLV iScore T1099ov2_complex_6 nan 0.000 0.000 0.000 nan any help?

[thuxugang]

Followings are the error's info.:

Keyword energies not found in ./pdb/pdb7ppp.pdb
            Make sure that ./pdb/pdb7ppp.pdb was generated with HADDOCK
 Warning : Issue encountered during the calculation of the energy terms
           All energy terms set to 0 (i.e. GraphRank score only)
/work/home/xugang/miniconda3/lib/python3.7/site-packages/iScore/function/score.py:86: RuntimeWarning: invalid value encountered in true_divide
  return (data-np.median(data))/iqr(data)

I am wondering that can iScore be used on the traditional pdb file or it must be used on the file generated by HADDOCK?