Contact Map Tool

Started by karstenw

karstenw Lv 1

I'd like to "select all" contacts and have at least the contacts with the highest degree of certainty show on my protein. Doing this by hand is way slow and time is tight during CASP.
Maybe also a "select all empty" contacts too. This tool would allow all contacts with red lines only to be selected. These 2 "select all" options would be extremely handy.
I would also like to click on a red or green contact line in my puzzle and make it disappear like we can do with bands.
If any one reading this can make a script that uses weak bands to substitute for "select all" until these tools are made, that'd be awesome.

Bruno Kestemont Lv 1

This script partly answer your request:

Contact Cement 2.02

In the current version, the intention was to (not sure all of this is implemented yet in the public version - still working on it):
1-Checks for contacts with non-zero heat.
2-Displays some statistics (number, mean heat, median heat) about any such contacts found.
3-Bands any contacts above a user-specifed heat cutoff.
4-Weights the band strength in function of heat, from 0.5 to a user-defined max heat
(strength set to low value helps for a better informative display, big values could be good for further work, but it gives something less readable on screen when there are many bands)
5-Allow you to select a limited number of bands in case there are too many contacts

I use it to put bands, then I can enable or disable the bands manually or with scripts.
To Do: If I or anybody finds time, we could additionally implement your ideas:
-make it work better (not sure it's bug free)
-function 5: I've to find a solution for a kind of intelligent select (random or following some criteria)
-function 5: it would be great to be able to delete redundant bands (for example keep only bands from starts and end of 2 sheets, delete bands inside a helix etc)
-select all empty contacts: great idea !
-click on red/green contact? impossible via script, this is for dev
but, once the contacts are banded, you can delete the related bands (not the lines)

Note that the script does not select anything on the contact map: red or green lines do not appear on the screen (only bands): this is for dev

spmm Lv 1

Yes please - a button to select and show any green square would be a real time saver - particularly as we need to reset the contact visualisation every time we open the puzzle or change tracks.
I usually put my own bands on but repeatedly clicking the green squares is time consuming and probably damaging to my eyes.

Seth Cooper Staff Lv 1

Would you prefer "select all" and "select all empty" maintain any existing selection and add to it, or first clear any existing selection?

spmm Lv 1

Thanks Seth, I guess if you have things selected already then best to just add the select all (green ones)as it is easy to clear all selected already.
Is 'select all empty' selecting the non-green squares? or the green squares which don't have contacts showing? I don't get this one sorry can't answer.

alcor29 Lv 1

I should think that "select all empty" means all the white squares because you only want to see the red lines so they can guide you to the primary structure. If there was also a slider as Karen suggested, the determination of green or white would be made by the slider so that all of the excess information below the slider threshold setting would be considered white squares yielding red lines.