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SSX-PepT Se: Difference between revisions
→solve structure with SHELX C/D/E
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== solve structure with [[ccp4com:SHELX C/D/E|SHELX C/D/E]] == | == solve structure with [[ccp4com:SHELX C/D/E|SHELX C/D/E]] == | ||
(use [[ccp4com:hkl2map|hkl2map]])! | (use [[ccp4com:hkl2map|hkl2map]])! There are 458 residues, out of which 18 are SeMet, in PepT. | ||
== Notes == | |||
other option: run xscale_isocluster with the option -clu 1 and sort by strength, take the upper ones and solve the structure. | other option: run xscale_isocluster with the option -clu 1 and sort by strength, take the upper ones and solve the structure. | ||
Or | |||
run xscale_isocluster with the option -clu 1 and sort by strength*cos(angle), take the upper ones and solve the structure. | |||
That would be | |||
awk '/INPUT_FILE/{ one = $1 ; getline ; print one " " $7*cos($8*3.14159/180) " " $8;getline}' XSCALE.1.INP |grep INPUT_FILE >temp | |||
awk '/INPUT_FILE/{ one = $1 ; getline ; print one " " $7*cos($8*3.14159/180) " " $8;getline}' XSCALE.4.INP |grep INPUT_FILE >>temp | |||
sort -nr -k2 temp >temp1 | |||