From 9193506c1296df3a55e3f50015c9a6c7b18e82ad Mon Sep 17 00:00:00 2001 From: Dawid Jagiela Date: Sun, 22 Sep 2013 15:26:40 +0200 Subject: [PATCH] show_UNRES.py - large loops speedup by using xrange --- source/pymol/show_UNRES.py | 12 ++++++------ 1 file changed, 6 insertions(+), 6 deletions(-) diff --git a/source/pymol/show_UNRES.py b/source/pymol/show_UNRES.py index 179e1af..e922779 100644 --- a/source/pymol/show_UNRES.py +++ b/source/pymol/show_UNRES.py @@ -54,17 +54,17 @@ def show_UNRES(sl='(all)'): # Get pseudo-peptide group positions atoms=cmd.get_model(sl+" & n. CA").atom p=[] - for i in range(0,len(atoms)-1): + for i in xrange(0,len(atoms)-1): p.append( [atoms[i].coord[0]+(atoms[i+1].coord[0]-atoms[i].coord[0])/2, atoms[i].coord[1]+(atoms[i+1].coord[1]-atoms[i].coord[1])/2, atoms[i].coord[2]+(atoms[i+1].coord[2]-atoms[i].coord[2])/2 ] ) obj=[] - for i in range(0,len(p)): + for i in xrange(0,len(p)): obj.extend( [ COLOR, 0.643, 0.933, 0.960 ] ) obj.extend( [ SPHERE, p[i][0], p[i][1], p[i][2], p_radius ] ) # Get Sidechain elipsoids positions atoms=cmd.get_model(sl+" & n. CB").atom e=[] - for i in range(0,len(atoms)): + for i in xrange(0,len(atoms)): ca=cmd.get_model(sl+" & n. CA & resn "+atoms[i].resn+" & resi "+atoms[i].resi).atom e.append( [ atoms[i].resn, atoms[i].coord[0], atoms[i].coord[1], atoms[i].coord[2], atoms[i].coord[0]-ca[0].coord[0], atoms[i].coord[1]-ca[0].coord[1], atoms[i].coord[2]-ca[0].coord[2] ] ) @@ -73,7 +73,7 @@ def show_UNRES(sl='(all)'): # # [ ELLIPSOID, x_pos, y_pos, z_pos, size, x0, y0, z0, x1, y1, z2, x2, y2, z2 ] # where the xyz vectors are orthogonal and of length 1.0 or less. - for i in range(0,len(e)): + for i in xrange(0,len(e)): # vactor CB->CA tmp0=[e[i][4], e[i][5], e[i][6]] #l=cpv.length(tmp0) @@ -98,10 +98,10 @@ def show_UNRES(sl='(all)'): # Get Glicynes positions atoms=cmd.get_model(sl+' & n. CA & resn GLY').atom g=[] - for i in range(0,len(atoms)): + for i in xrange(0,len(atoms)): g.append( [ atoms[i].resn, atoms[i].coord[0], atoms[i].coord[1], atoms[i].coord[2] ]) # Draw the glicyne spheres - for i in range(0, len(g)): + for i in xrange(0, len(g)): obj.extend( [ COLOR, resdb[g[i][0]][0], resdb[g[i][0]][1], resdb[g[i][0]][2] ] ) obj.extend( [ SPHERE, g[i][1], g[i][2], g[i][3], resdb[g[i][0]][3]]) -- 1.7.9.5