Dear Elaine and Tom, Thanks a lot for the fantastic effort and time. Since the updating the centre was the issue, I took the zone @ca route, script is the following ------------------------------------------------------------------------ # Open maps and set threshold open start_resample_lp30_scaled.mrc open end_lp30.mrc open RZQS_open2.pdb open RZQS2.pdb vol all step 1 vol #0 level 0.026 vol #1 level 0.026 # Create morph volume #4 vop morph #0,1 frames 0 model #4 #vol #4 level 0.02 # Create morph models model #5 morph start #2 frames 100 morph interpolate #3 morph movie ## color the chains, so that scolor takes it to the map color #999999999999 # color #00002f68f684 #:.L color #25edbda038e3 #:.N #:.B color #ffff00000000 #:.Z #:.S #:.Q color #999900009999 #:.R # Color near marker perframe "scolor #4 zone @ca range 15" #Play morph coordset #5 1,100; vop morph #0,1 start 0 playstep 0.01 frames 100 interpolateColors false model #4 ---------------------------------------------------------------------- Above script actually works, but 1) there is a small delay between PDB and map 2) Morph looks too slow 3 ) I would like to show open and close confirmation at least twice. meaning forward as the script above and reverse ( 2x) and record that as a movie. Any help regarding above three would make my weekend :). One again thank you so much for your time and effort. best regards Rajan On Fri, Sep 14, 2018 at 8:11 PM, Elaine Meng <meng@cgl.ucsf.edu> wrote:
Hi Rajan, With some help from Tom, I think I finally figured out the commands to mark morphing atoms at each step and color a simultaneously morphing map by zone around the marker for that time step. The following commands are a fake example (the atoms don’t really go with the maps) but they show how it can be done:
# map models #0,1 open emdbID:1283 open emdbID:1284
# atomic models #2,3 open 2gbp open 2fwo mm #3 #2
# atomic morph trajectory #4 morph start #2 frames 99 morph interpolate #3 morph movie
# play atomic trajectory ~modeldisp #2,3 coordset #4 1,100
# create and show map morph #5 vop morph #0,1 frames 100 playstep .01 mod #5
# try measuring current frame of trajectory and doing color zone measure center #4 mark true rad 2 color red mod #6; scolor #5 zone #6 range 25
# now do everything at once while morphing vop morph #0,1 frames 100 playstep .01 mod #5; perframe "measure center #4 mark true rad 2 color red mod #6; scolor #5 zone #6 range 25; delete #6"; coordset #4 1,100;wait 100; ~perframe
The main trick for me was putting the “vop morph” before the “perframe”. If I did it the other way around, the zone coloring wasn’t shown. I hope this helps, Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Department of Pharmaceutical Chemistry University of California, San Francisco
On Sep 13, 2018, at 6:09 PM, Tom Goddard <goddard@sonic.net> wrote:
Hi Rajan, Yes, you would have to measure the center for each frame and use that for the zone coloring. In order to perform a command or sequence of commands each frame you use the “perframe” command.
https://www.cgl.ucsf.edu/chimera/docs/UsersGuide/midas/ perframe.html
Elaine Meng said she tried it and did not get your case to work though, so there may be some unexpected difficulties. But you should try it. Tom
On Sep 13, 2018, at 6:54 AM, Rajan Prabu <jrajanprabu@gmail.com> wrote:
Hello again,
Following another old thread,
http://plato.cgl.ucsf.edu/pipermail/chimera-users/2016- September/012743.html
I could morph/play the coordinates and Volume at the same time. The script is given below.
---------------------------------------------------- # Open maps and set threshold open 1.mrc open 2.mrc open start_full.pdb open end_full.pdb
vol #0,1 level .025
# Create a marker for coloring measure center #2 mark true radius 20 color red ~display #4
# Create morph volume vop morph #0,1 frames 0 model #5
# Create morph models model #6 morph start #2 frames 200 morph interpolate #3 frames 200 morph movie
# marker on morph measure center #6 mark true radius 20 color red
# Color near marker scolor #5 zone #6 range 50
coordset #6 1,100; vop morph #0,1 start 0 playstep 0.01 frames 100 model #6 ----------------------------------------------------
Still the color is at centre of of the first Frame of morph. If I understand correct I have to measure the centre for each Frame and add marker and color it. But I still can't make it. Any help/directions in this regard would be very helpful.
Thanks in advance for your time and help.
best regards Rajan