Spectrumany - Revision history

Bell: 10 revisions

2014-03-28T03:55:48Z

10 revisions

Speleo3: Infobox psico

2012-07-31T07:54:48Z

Infobox psico

Tlinnet at 15:06, 15 January 2012

2012-01-15T15:06:14Z

Speleo3: use Infobox script-repo, drop script

2011-12-20T14:29:50Z

use Infobox script-repo, drop script

Tlinnet at 20:18, 13 December 2011

2011-12-13T20:18:53Z

Speleo3: another attempt to make it work without generator syntax

2011-04-06T08:25:47Z

another attempt to make it work without generator syntax

Speleo3: avoid generator syntax to support python < version 2.4

2011-04-06T06:52:30Z

avoid generator syntax to support python < version 2.4

Speleo3: added figure

2011-02-18T13:53:58Z

added figure

Speleo3: support "resi" as expression

2010-09-17T14:10:55Z

support "resi" as expression

Speleo3: minimum/maximum arguments swapped

2010-07-26T07:09:51Z

minimum/maximum arguments swapped

@@ Line 4: / Line 4: @@
 |author    = [[User:Speleo3|Thomas Holder]]
 |license   = BSD-2-Clause
 }}

← Older revision		Revision as of 15:06, 15 January 2012
Line 27:		Line 27:
	[[Category:Script_Library]]		[[Category:Script_Library]]
	[[Category:Coloring]]		[[Category:Coloring]]
		+	[[Category:Pymol-script-repo]]

@@ Line 1: / Line 1: @@
 [[File:SpectrumanyExample.png|300px|thumb|right|Coloring with a gradient of different green shades]]
@@ Line 16: / Line 23: @@
 # gradient of different green colors
 spectrumany count, smudge palegreen limegreen limon green forest, chain B
 </source>
 [[Category:Script_Library]]
 [[Category:Coloring]]

@@ Line 111: / Line 111: @@
 </source>
-[[Category:Plugins]]
+[[Category:Script_Library]]
 [[Category:Coloring]]

@@ Line 100: / Line 100: @@
              ii = float(i)/steps
              col_list = [colvec[p+1][j] * ii + colvec[p][j] * (1.0 - ii) for j in range(3)]
-             col_name = '0x%02x%02x%02x' % tuple([i * 255 for i in col_list])
+             col_name = '0x%02x%02x%02x' % (col_list[0] * 255, col_list[1] * 255, col_list[2] * 255)
              val_end = val_range * (i + 1 + p * steps) / steps_total + minimum
              if expression in discrete_expr:

← Older revision	Revision as of 03:55, 28 March 2014
(No difference)

← Older revision		Revision as of 13:53, 18 February 2011
Line 1:		Line 1:
		+	[[File:SpectrumanyExample.png\|300px\|thumb\|right\|Coloring with a gradient of different green shades]]
		+
	This script works similar to the [[spectrum]] command, but instead of predefined palettes, any color sequence can be used.		This script works similar to the [[spectrum]] command, but instead of predefined palettes, any color sequence can be used.

@@ Line 35: / Line 35: @@
 ARGUMENTS
      color_list = string: Space separated list of colors
@@ Line 60: / Line 63: @@
      expression = {'pc': 'partial_charge', 'fc': 'formal_charge',
              'count': count_expr}.get(expression, expression)
      if None in [minimum, maximum]:
          stored.e = list()
-         cmd.iterate(selection, 'stored.e.append(%s)' % (expression))
+         cmd.iterate(selection, 'stored.e.append(%s)' % (minmax_expr))
          if minimum is None:
              minimum = min(stored.e)
@@ Line 75: / Line 84: @@
          return
-     if expression == count_expr:
+     if expression in discrete_expr:
          val_range = int(maximum - minimum + 1)
      else:
@@ Line 88: / Line 97: @@
          for i in range(steps):
              ii = float(i)/steps
              col_list = [colvec[p+1][j] * ii + colvec[p][j] * (1.0 - ii) for j in range(3)]
-             cmd.set_color(col_name, col_list)
+             col_name = '0x%02x%02x%02x' % tuple(i * 255 for i in col_list)
              val_end = val_range * (i + 1 + p * steps) / steps_total + minimum
-             if expression == count_expr:
+             if expression in discrete_expr:
-                 cmd.color(col_name, '(%s) and index %d-%d' % (selection, val_start, val_end))
+                 cmd.color(col_name, '(%s) and %s %d-%d' % (selection, expression, val_start, val_end))
              else:
                  cmd.color(col_name, '(%s) and %s > %f' % (selection, expression, val_start))

@@ Line 24: / Line 24: @@
 from pymol import cmd, stored
-def spectrumany(expression, color_list, selection='(all)', maximum=None, minimum=None):
+def spectrumany(expression, color_list, selection='(all)', minimum=None, maximum=None):
      '''
 DESCRIPTION