Nmr cnstr: Difference between revisions
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{{Infobox script-repo | |||
|type = script | |||
|filename = nmr_cnstr.py | |||
|author = [[User:Evangelos|Evangelos Papadopoulos]] | |||
|license = - | |||
}} | |||
This script will display the NMR constrains used for a structure calculation atop a structure. Usage: Save this as "NMRcnstr.py" load your protein in PyMOL, and run the script. type upl('fname') or cns('fname') where fname is the filename with the NMR constrains you want to display. It is still a very preliminary version. | This script will display the NMR constrains used for a structure calculation atop a structure. Usage: Save this as "NMRcnstr.py" load your protein in PyMOL, and run the script. type upl('fname') or cns('fname') where fname is the filename with the NMR constrains you want to display. It is still a very preliminary version. | ||
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Welcome to contact me if you need some help to set it up. | Welcome to contact me if you need some help to set it up. | ||
[[Image:Cns.png]] [[Image:Upl.png]] | [[Image:Cns.png]] [[Image:Upl.png]] | ||
[[Category:Script_Library|Show NMR Constraints]] | [[Category:Script_Library|Show NMR Constraints]] | ||
[[Category:Structural_Biology_Scripts]] | [[Category:Structural_Biology_Scripts]] | ||
[[Category:Pymol-script-repo]] | |||
Latest revision as of 10:04, 15 January 2012
| Type | Python Script |
|---|---|
| Download | nmr_cnstr.py |
| Author(s) | Evangelos Papadopoulos |
| License | - |
| This code has been put under version control in the project Pymol-script-repo | |
This script will display the NMR constrains used for a structure calculation atop a structure. Usage: Save this as "NMRcnstr.py" load your protein in PyMOL, and run the script. type upl('fname') or cns('fname') where fname is the filename with the NMR constrains you want to display. It is still a very preliminary version.
If you generated the structure by CYANA type:
cyana> read final.pdb
to input the structure in cyana then:
cyana>pseudo=1
before exporting the structure again by:
cyana> write final.pdb
this way the structure will contain the appropriate pseudoatoms nomeclature.
Welcome to contact me if you need some help to set it up.
