Molecular Sombreros of 1CRL

Molecular Sombreros of 1CRL

Citation Author(s):
Karsten
Schatz
Michael
Krone
Tabea
Bauer
Valerio
Ferrario
Jürgen
Pleiss
Thomas
Ertl
Submitted by:
Karsten Schatz
Last updated:
Tue, 03/26/2019 - 10:56
DOI:
10.21227/0jvy-2c24
Data Format:
License:
Dataset Views:
26
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Abstract: 

This dataset presents results of the Molecular Sombrero method, which simplifies protein cavities into an abstract, hat-like shape.

Instructions: 

This dataset contains results of the Molecular Sombreros method.

It contains 8 different triangle meshes. Two of them represent the surfaces of the original protein in different color modes (1crl_bfactor.ply and 1crl_height.ply). The others are the molecular sombreros of the catalytic binding site of the protein, using different values for the brim radius:

somb0: exit radius determined from the cavity exit in the mesh.

somb1: bottleneck radius of the cavity

somb2 exit radius of the cavity according to CAVER

To view the files, open the .ply files with MeshLab or other mesh rendering software capable of displaying ply-files.

We recommend MeshLab as it automatically loads the correct vertex colors.

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[1] Karsten Schatz, Michael Krone, Tabea Bauer, Valerio Ferrario, Jürgen Pleiss, Thomas Ertl, "Molecular Sombreros of 1CRL", IEEE Dataport, 2019. [Online]. Available: http://dx.doi.org/10.21227/0jvy-2c24. Accessed: Jul. 22, 2019.
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doi = {10.21227/0jvy-2c24},
url = {http://dx.doi.org/10.21227/0jvy-2c24},
author = {Karsten Schatz; Michael Krone; Tabea Bauer; Valerio Ferrario; Jürgen Pleiss; Thomas Ertl },
publisher = {IEEE Dataport},
title = {Molecular Sombreros of 1CRL},
year = {2019} }
TY - DATA
T1 - Molecular Sombreros of 1CRL
AU - Karsten Schatz; Michael Krone; Tabea Bauer; Valerio Ferrario; Jürgen Pleiss; Thomas Ertl
PY - 2019
PB - IEEE Dataport
UR - 10.21227/0jvy-2c24
ER -
Karsten Schatz, Michael Krone, Tabea Bauer, Valerio Ferrario, Jürgen Pleiss, Thomas Ertl. (2019). Molecular Sombreros of 1CRL. IEEE Dataport. http://dx.doi.org/10.21227/0jvy-2c24
Karsten Schatz, Michael Krone, Tabea Bauer, Valerio Ferrario, Jürgen Pleiss, Thomas Ertl, 2019. Molecular Sombreros of 1CRL. Available at: http://dx.doi.org/10.21227/0jvy-2c24.
Karsten Schatz, Michael Krone, Tabea Bauer, Valerio Ferrario, Jürgen Pleiss, Thomas Ertl. (2019). "Molecular Sombreros of 1CRL." Web.
1. Karsten Schatz, Michael Krone, Tabea Bauer, Valerio Ferrario, Jürgen Pleiss, Thomas Ertl. Molecular Sombreros of 1CRL [Internet]. IEEE Dataport; 2019. Available from : http://dx.doi.org/10.21227/0jvy-2c24
Karsten Schatz, Michael Krone, Tabea Bauer, Valerio Ferrario, Jürgen Pleiss, Thomas Ertl. "Molecular Sombreros of 1CRL." doi: 10.21227/0jvy-2c24