Michael Seewald's notes about coloring residues according to a property that has been saved in a simple UNIX text file.


Q: Using Insight, how can it be done that an amino acid residue in a molecule is modified (color, rendering) according to a property that has been measured and saved as a simple text file?

Answer: 1. In the command line use 'open anyname.tab text' to read in a table file that contains the information about the residue. Have a look at the online help at Modules/Viewer/Molecule/Color_Ribbon/Monomer_Column for some information about table file specifications. It could look like this:

----
:2 4 95.19
:3 1 19.94
:4 5 59.84
:5 4 121.52
:6 4 271.15
:7 3 481.36
:8 3 176.98
:9 3 953.14
:10 3 21.06
:11 4 74.35
----

Each column has to be separated by a tab character. The column that describes the monomer can have different formats. Instead of ':2' it could contain the residue name ':GLN_2' or additionally the molecule name 'PROTEIN_G:2'.

InsightII will open a table editor containing this file. Don't close this window. Otherwise, the information will be deleted!

2A. Color each monomer according to its property:
Click on Molecule/Color_Ribbon, then choose your molecule, check Multiple_Colors. In the fields Monomer Column or Data Column define which part of the table should be used. For example, the table file could have been read in as TEXT and the monomer information could be in the first column, then enter 'TEXT:A' as Monomer Column. Do the same for the property (eg. 'TEXT:C' for the 3rd column). Choose colors for High_Color and Low_Color.

2B. Render each monomer according to its property: Click on Molecule/Ribbon, then check Create, specify your molecule. Check Solid_Oval or any other type as Ribbon Style. Check Variable_Width and as in (2,a) specify Monomer Column and Data Column. Modify Min. Width and Max. Width according to your needs.

3. Admire results...


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Last updated: 01/23/2001