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| Line 34: |
Line 34: |
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| If something did go awry, an efficient way of troubleshooting is to list the selected atoms. | | If something did go awry, an efficient way of troubleshooting is to list the selected atoms. |
| <nowiki>
| | |
| load files "=3HG5" "=3H54"
| |
| restrict none # display is cleared
| |
| # define active site residues and superimpose structures
| |
| define ~actgal 1.1 and (47,92,93,134,142,168,170,172,203,206,207,227,231) and *:A
| |
| define ~actnagal 2.1 and (33,78,79,119,127,154,156,158,188,191,192,213,217) and *:A
| |
| compare {2.1} {1.1} SUBSET{*.CA} ATOMS{~actnagal and *.CA}{~actgal and *.CA} ROTATE TRANSLATE
| |
| select protein and 1.1; cartoon; color palegreen; center selected
| |
| select 801-802; wireframe 100; color cpk
| |
| select protein and 2.1; cartoon; color cornflowerblue;
| |
| select 1000,2000; wireframe 100; color cpk
| |
| select group within(3.0, (BMA, NAG, MAN)) and (sidechain or *.CA)
| |
| select selected or (BMA, NAG, MAN); wireframe 50
| |
| model 1 # or model 2
| |
| </nowiki>
| |
| ==Demonstrations==
| |
| The <scene name='78/786673/Gal_overall/5'>opening scene</scene> is a result of the following script:
| |
| <nowiki>
| |
| load files "=3HG5" "=3H54"
| |
| restrict none # display is cleared
| |
| # define active site residues and superimpose structures
| |
| define ~actgal 1.1 and (47,92,93,134,142,168,170,172,203,206,207,227,231) and *:A
| |
| define ~actnagal 2.1 and (33,78,79,119,127,154,156,158,188,191,192,213,217) and *:A
| |
| compare {2.1} {1.1} SUBSET{*.CA} ATOMS{~actnagal and *.CA}{~actgal and *.CA} ROTATE TRANSLATE
| |
| select protein and 1.1; cartoon; color palegreen; center selected
| |
| select 801-802; wireframe 100; color cpk
| |
| select protein and 2.1; cartoon; color cornflowerblue;
| |
| select 1000,2000; wireframe 100; color cpk
| |
| select group within(3.0, (BMA, NAG, MAN)) and (sidechain or *.CA)
| |
| select selected or (BMA, NAG, MAN); wireframe 50
| |
| model 0
| |
| </nowiki>
| |
| <StructureSection load='' size='340' side='right' caption='superposition' scene='78/786673/Gal_overall/5'> | | <StructureSection load='' size='340' side='right' caption='superposition' scene='78/786673/Gal_overall/5'> |
| It is nice to offer the viewer to look at the structures separately, or animate to go back and forth. This makes it easier to see the structures. | | It is nice to offer the viewer to look at the structures separately, or animate to go back and forth. This makes it easier to see the structures. |