Opened 9 years ago

Last modified 9 years ago

#433 new enhancement

consider PISA fetch for assemblies and/or interface statistics

Reported by: Elaine Meng Owned by: Tom Goddard
Priority: major Milestone:
Component: Input/Output Version:
Keywords: Cc: Conrad Huang, Eric Pettersen
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

Forming URLs to retrieve data from PDBePISA:

​http://www.ebi.ac.uk/pdbe/pisa/pi_download.html

(queries at the website: ​http://www.ebi.ac.uk/pdbe/pisa/pi_link.html)

Data include assemblies, symmetry relationships, interface surface areas, numbers of H-bonds, salt bridges, estimated energies of interaction, ...

For example, ooks like CCP4mg has an interface
​http://www.ccp4.ac.uk/MG/ccp4mg_help/pisa.html

Change History (1)

comment:1 by Tom Goddard, 9 years ago

Good idea.

One part of this is being able to display the assemblies. This could be done by reading the XML description with matrices to position chain copies. Or it could simply read the coordinate files for the assemblies. A second aspect is to provide a user interface that presents the information about the interfaces between chains (hbonds, salt bridges, energies).

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