Structure solution - Molecular replacement

CCP4 

 CCP4 Molrep step by step :

http://hyuan.imb.sinica.edu.tw/protocol/06_Jun_04_Lauren.ppt

CCP4 Tutorial

 http://www.ccp4.ac.uk/courses/china06/tutorials/mr_tutorial_first.html

 

 

Balbes

http://www.ysbl.york.ac.uk/~fei/balbes/index.html

a. local 

Input both a structure factor file and a sequence file (automatically search for suitable models)

% balbes -o output_directory_name -f a_structure_factor_file_name -s a_sequene_file_name

Use your own model. Input both a structure factor file and a pdb file

 % balbes -o output_directory_name -f a_structure_factor_file_name -m myOwnPdb.pdb

b. web server

 YSBL web server provied mutiple space group check (need registeration)

 

 

Epmr 

epmr user guide 

http://hyuan.imb.sinica.edu.tw/protocol/epmr-user-guide.pdf

epmr.cell format:

40.76 18.49 22.33 90 90.61 90 4 (a b c alpha beta garma space group)

epmr example.cell example.pdb example.hkl > example.log

 

 

CNS

http://cns-online.org/v1.3/ -> tutorial -> Phasing by Molecular Replacement

Change sca format to cns format. 

%to_cns data.sca data.cns

cns_mr.jpg

 





 

 

 

 

03/28/2011 20:52
Asia/Taipei