calc_qscore¶
Calculating Q-score from DCD-format or PDB-format files.
This module contains CalcQscore class. The class provides methods for calculating Q-score. Q-Score is a value for indicating how a protein structure is similar to native strucutre. The value ranges from 0 (denature) to 1.0(nature).
| Editer: | Mogu |
|---|---|
| Version: | 0.0.1dev |
| environment: | Pyton3.5.1 |
contants
- CalcDistance: provide calculating the distance.
This class caluclates the distance between atoms from [dcd, pdb]-files.
- example:
- cafepy distance -f test.dcd[.pdb]
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class
cafepy.core.calc_qscore.CalcQscore(filename, ninfo='', cutoff=12.0)[source]¶ Calculating Q-Score.
The class provides methods for calculating Q-score. Q-Score is a value for indicating how a protein structure is similar to native strucutre. The value ranges from 0 (denature) to 1.0(nature).
# In Terminal. pycafe.py com -i [dcd,pdb]-infile [optional: -o outfile, -n index.file or int-value]
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read(filename)¶ read [pdb, dcd, index] files. This function define reading type from files suffix. you need to set a proper suffix with filename.
Inputs: filename(str) Returns: class [DCD, PDB, Index]
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