# RasMol script: # # For MS-Windows, LOAD this file at RasMol Command Line window. # # For Macintosh, copy this contents and paste to Command Line window. # # # Usage of RasMol commands is summerized in a URL: # http://www.osaka-med.ac.jp/deps/med/HomePage/Home.html # # A centroid of phenyl ring is added to the file "pln1_bz-cent.pdb". # # Break bonds between centroid and phenyl atoms unbond 49 19 unbond 49 23 unbond 49 14 unbond 49 15 unbond 49 17 unbond 49 21 # Set bond radius wireframe 30 # Set colour and ball size of atoms select carbon color [238,233,233] spacefill 0.4 select oxygen color [240,128,128] spacefill 0.4 select nitrogen color [135,206,235] spacefill 0.4 select hydrogen color [230,230,250] spacefill 0.2 select *.CL1 color [143,188,143] spacefill 0.6 select cen.H1 # Draw hydrogen bonds bond 4 49 bond 2 6 # Remove additional centroid point from drawing select cen.h1 cpk 0 zoom 120 # Set project-orientation reset rotate x 112 rotate y -36 rotate x 66 background white # Before next command, you can rotate the molecule. # Make povray files: fl.inc and fl.pov # write povray3 fl # EOF