Re: [ccp4bb]: grasp

["Demetres D. Leonidas" <ddl@eie.gr>]

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Dear Deena,

you can colour the surface in GRASP by giving it the colour you have
given in the residues. I am enclosing a small macro that will do such a
thing.

best wishes

Demetres


Macro Name: Make_Col_Surf_active_site
write:********************************************************
write: Colour atoms here......
write:********************************************************
line :alt(r=0),r=wat
line :bc=9
line :bc=5,rn=a14,a=ba
line :bc=5,rn=a14,a=sch
line :bc=5,rn=a15,a=ba
line :bc=5,rn=a15,a=sch
line :bc=5,rn=a129,a=ba
line :bc=3,rn=a129,a=sch
line :bc=3,rn=a130,a=ba
line :bc=3,rn=a130,a=sch
write:********************************************************
write: Make CPK
write:********************************************************
Menu Cascade Begin
menu :GRASP | Display
menu :Display Action | Alter
menu :STRUCTURE | Atoms
menu :Color Atoms by | Atom Type
menu :Atom Drawing Mode | Full Spheres
Menu Cascade End
write:********************************************************
write: Apply bond colors to cpk
write:********************************************************
line :c=b
write:********************************************************
write: now lets make a molecular surface of the molecule
write:********************************************************
Menu Cascade Begin
menu :GRASP | Build
menu :This Structure.. | Molecular Surface
menu :Which Atoms | All Atoms
Menu Cascade End
write:********************************************************
write:hide all atoms............
write:********************************************************
Menu Cascade Begin
menu :GRASP | Display
menu :Display Action | Hide
menu :STRUCTURE | Atoms
Menu Cascade End
write:********************************************************
write: Map colours to surface............
write:********************************************************
Menu Cascade Begin
menu :GRASP | Display
menu :Display Action | Alter
menu :STRUCTURE | Molecular Surface
menu :Color Surface by | Discrete Colors
menu :Surface Display Mode | Lit and Rendered
Menu Cascade End
line :vc=a
Macro End



--
Demetres D. Leonidas, Ph.D.
National Hellenic Research Foundation
Institute of Biological Research & Biotechnology
48, Vassileos Constantinou Avenue
Athens 116 35, Greece
==================================================
Tel. +301-07273763
Fax. +301-07273758
E-mail: ddl@eie.gr
URL: http://athena.eie.gr/~demetres
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