Dear PYMOL users,
I have done a homology modelling using swiss model. Template pdb file
contain 3 chains (A, B, C). I used only chain A for homology modelling as
template.
There is a symmetry operator in template pdb file (temp.pdb). I want to use
symexp to obtain dimeric structure for modeled pdb file (model.pdb).
I manually added following records (from temp.pdb) at the first of the
modeled pdb file:
===========================================================
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -X,Y,-Z
REMARK 290 3555 X+1/2,Y+1/2,Z
REMARK 290 4555 -X+1/2,Y+1/2,-Z
REMARK 290
REMARK 290 WHERE NNN -> OPERATOR NUMBER
REMARK 290 MMM -> TRANSLATION VECTOR
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
REMARK 290 RELATED MOLECULES.
REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 88.99000
REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 28.29500
REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 88.99000
REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 28.29500
REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000
REMARK 290
CRYST1 177.980 56.590 83.220 90.00 116.58 90.00 C 1 2 1 12
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 0.005619 0.000000 0.002811 0.00000
SCALE2 0.000000 0.017671 0.000000 0.00000
SCALE3 0.000000 0.000000 0.013436 0.00000
===========================================================
After using symexp sym,model,(model),1 in command line, I encountered with:
ExecutivesSymexp-Error: No Symmetry loaded!
temp.pdb and model.pdb files are in following links:
https://www.dropbox.com/s/t8m1nrkx2s69wi9/model.pdb?dl=0
https://www.dropbox.com/s/mt7toc0wtenr779/temp.pdb?dl=0
Any help will be highly appreciated.
Best,
Leila
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