#!/bin/sh # # Plot of molecule and fc map # set -e if test ! -f $CCP4_SCR/toxd_fc.map; then echo '! run sf_calc first' 1>&2 exit 1 fi npo \ XYZIN1 $CEXAM/toxd/toxd.pdb \ MAPIN $CCP4_SCR/toxd_fc.map \ PLOT $CCP4_SCR/z.plot \ << 'END-npo' TITLE Test for NPO # Contour map MAP SCALE 3 CONTRS SIG 1.0 2.0 SECTNS 0 10 3 # Model INPUT BROOK RESIDUE SELECT ALL RESIDUE RED SELECT 1 to 59 RESIDUE YELLOW SELECT 60 to 64 RESIDUE BLUE SELECT 65 to 123 LABEL FIXED CA # Plotting style JOIN RADII RESIDU I 1.1 CA 0.9 C 0.9 O 0.9 N 0.9 S 1.1 Fe 1.1 SOLID NOHID PLOT Y ! plot keyword is compulsory END-npo # #map/atoms example 2 #==================== # npo mapin $CCP4_SCR/toxd_fc.map \ xyzin1 $CEXAM/toxd/toxd.pdb \ plot $CCP4_SCR/apo.plt \ << eof SYMM X,Y,Z CELL 73.53 39.06 23.15 90.0 90.0 90.0 MAP NOBOX CONTOURS sig 1.0 2.0 ! ! LIMITS xmin, xmax, ymin, ymax, zmin, zmax ! Limit the part of the map to be plotted to the given volume, ! in grid points. A SECTNS card must also be given: the ! limits given here on the section axis are not used. ! LIMITS 0 50 0 50 0 7 MODE BLACK BELOW 0.0 DASHED 4 3 0 ! ! SECTNS NFirst_Section, NLast_Section, ! Nsections_in_Group, NstpMapGrpSect ! SECTNS 0 7 1 1 ! ! set sections limits for selection of atoms . ! atoms will be stored on file ! if they lie between the sections specified + 1 ! section thickness at each end ! ! INPUT BROOK RESIDU BOND 2 2 SELECT ALL RESIDUE RED SELECT 1 to 59 RESIDUE YELLOW SELECT 60 to 64 RESIDUE BLUE SELECT 65 to 123 LABEL O 5 LABEL C 5 label fix CA LABEL TEXT ZZZ CG12 1 1 BOND 1 0.15 10 BOND 2 0.05 5 JOIN RADII RESIDU C 0.9 CA 0.9 O 0.9 N 1.0 S 1.1 P 1.1 JOIN RADII INTER SOLID RADII ATOMS ALL 0.5 !STEREO NOTICKS SEP 70 MONO SIZE 0 CHAR 4.0 SCALE 7.0 PLOT eof ### now convert to PostScript pltdev -dev ps -aut -pen c -i $CCP4_SCR/z.plot -o $CCP4_SCR/plot84.ps #