User:Wayne Decatur/1ig8 to 3b8a (hexokinase) morph methods: Difference between revisions
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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. | 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. | ||
REALIZED AFTER STARTING THIS APPROACH THAT ALTHOUGH IT WOULD PRODUCE A COOL ANIMATION, IT MIGHT NOT BE VERY CHEMICALLY ACCURATE AND SO MAYBE FOR NEEDS I HAVE BETTER TO HAVE GLUCOSE AND SULFATE ION JUST AT ENDPOINTS, WITH AN UNBOUND REPRESENTATION OF GLUCOSE FOR 1ig8. | REALIZED AFTER STARTING THIS APPROACH THAT ALTHOUGH IT WOULD PRODUCE A COOL ANIMATION, IT MIGHT NOT BE VERY CHEMICALLY ACCURATE AND SO MAYBE FOR NEEDS I HAVE BETTER TO HAVE GLUCOSE AND SULFATE ION JUST AT ENDPOINTS, WITH AN UNBOUND REPRESENTATION OF GLUCOSE FOR 1ig8. | ||
* To add sulfate ion from 1ig8 back to first frame of "1ig8TO3b8a.pdb":</br> | |||
First made file of just first frame of "1ig8TO3b8a.pdb", then loaded that into Jmol.</br> | |||
Then used open with append option to open the original 1ig8 pdb fle. | |||
Then issued in the console:</br> | |||
compare {2.1}{1.1} rotate translate; | |||
select 2.1; | |||
write COORDS PDB "heteroatomsforfirstframeof1ig8TO3b8a.pdb"; | |||
