User:Wayne Decatur/1ig8 to 3b8a (hexokinase) morph methods: Difference between revisions
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**Downloaded result. | **Downloaded result. | ||
**Edited model numbers to go from 1-12 instead of 0 to 11 since the 0 model number causes issues when I try to call it in Jmol. --> file = 1ig8TO3b8a.pdb. | **Edited model numbers to go from 1-12 instead of 0 to 11 since the 0 model number causes issues when I try to call it in Jmol. --> file = 1ig8TO3b8a.pdb. | ||
**Opened "3b8aASchainA.pdb" and copied SO4 and glucose from this file and added it to end of last frame (12th) in "1ig8TO3b8a.pdb" and saved as "1ig8TO3b8aplusheteroatomstolastframe.pdb" | |||
**In preparation for adding glucose falling into active site, I copied ""1ig8TO3b8aplusheteroatomstolastframe.pdb" and renamed it to "1ig8TO3b8aplusheteroatomsto11n12frames.pdb" and then copied glucose from frame 12 to end of frame 11. Now I need to move glucose in frame 11 out and rotate slightly to look like out of the active site a tiny bit relative to frame 12. | |||
***To do that, issued in console: | |||
set dragSelected ON; | |||
set PICKING select molecule; | |||
set allowRotateSelected ON; | |||
select model=11 and [BGC]; | |||
AND AFTER THAT COMMAND TO PICK GLUCOSE held down alt and shift and clicked on glucose molecule and pulled molecule out of active site a little and holding alt along rotated it slightly. | |||
Then issued: | |||
select all; | |||
write COORDS PDB "1ig8TO3b8aplusheteroatomsto10thru12frames.pdb" | |||
Opened 1ig8TO3b8aplusheteroatomsto10thru12frames.pdb" in text editor and copied the molecule of glucose from frame 11 to 10. | |||
Now I need to repeat the pulling and rotating of the glucose molecule in frame 10 so looks a little more like drifted out of active site relative next two frames. | |||
