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Biotechnology and Biomedical Engineering
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Bioinformatics Virtual Lab III
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Converting chemical file formats
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Converting chemical file formats
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Theory
Procedure
Self Evaluation
Simulator
Assignment
Reference
Feedback
1)
The file format representation for crystallographic data.
PDB
MOL
CIF
MDLRXN
2)
The OpenBabel component command line utility is used to
Contains C++ library
Translate between different file formats
Offer extensible plugin interface
None of the above
3)
The chirality information for the molecules can be found using
Obenergy
Obchiral
Obprop
Obprobe
4)
The energy of the molecule can be calculated by
Obrotamer
Obgrep
Obfit
Obenergy
5)
Define SMILES
Simplified Molecular Input Line Entry Specifications
Simple Molecule File Format
Structural Data Format
All the above
Cite this Simulator:
vlab.amrita.edu,. (2013). Converting chemical file formats. Retrieved 19 April 2024, from vlab.amrita.edu/?sub=3&brch=275&sim=1499&cnt=3
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