Author: bugman
Date: Sun Dec 10 03:22:00 2006
New Revision: 2933
URL: http://svn.gna.org/viewcvs/relax?rev=2933&view=rev
Log:
Changed the model-free Molmol cutoff for fast and slow motions from 100 to
200 ps.
Modified:
1.3/specific_fns/model_free.py
Modified: 1.3/specific_fns/model_free.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/model_free.py?rev=2933&r1=2932&r2=2933&view=diff
==============================================================================
--- 1.3/specific_fns/model_free.py (original)
+++ 1.3/specific_fns/model_free.py Sun Dec 10 03:22:00 2006
@@ -5232,15 +5232,15 @@
| | | on the timescale of the motions.
This is because these |
| | | single timescale models can, at
times, be perfect |
| | | approximations to the more complex
two timescale models. |
- | | | Hence if te is less than 100 ps, S2
is plotted. Otherwise |
+ | | | Hence if te is less than 200 ps, S2
is plotted. Otherwise |
| | | the peptide bond is coloured white.
The default colour |
| | | gradient is the same as that for
S2. |
| | |
|
| Amplitude of | 'amp_slow' | Model independent display of the
amplite of slow motions, |
- | slow motions. | | arbitrarily defined as motions
slower than 100 ps. For |
+ | slow motions. | | arbitrarily defined as motions
slower than 200 ps. For |
| | | residues described by model-free
models m5 to m8, the |
- | | | order parameter S2 is plotted if ts
100 ps. For models |
- | | | m1 to m4, S2 is plotted if te > 100
ps. The default |
+ | | | order parameter S2 is plotted if ts
200 ps. For models |
+ | | | m1 to m4, S2 is plotted if te > 200
ps. The default |
| | | colour gradient is the same as that
for S2. |
| | |
|
| te. | 'te' | The correlation time, te. The
default colour gradient |
@@ -5255,14 +5255,14 @@
| Timescale of | 'time_fast' | Model independent display of the
timescale of fast |
| fast motions | | motions. For models m5 to m8, only
the parameter tf is |
| | | plotted. For models m2 and m4, the
parameter te is |
- | | | plotted only if it is less than 100
ps. All other |
+ | | | plotted only if it is less than 200
ps. All other |
| | | residues are assumed to have a
correlation time of zero. |
| | | The default colour gradient is the
same as that of te. |
| | |
|
| Timescale of | 'time_slow' | Model independent display of the
timescale of slow |
| slow motions | | motions. For models m5 to m8, only
the parameter ts is |
| | | plotted. For models m2 and m4, the
parameter te is |
- | | | plotted only if it is greater than
100 ps. All other |
+ | | | plotted only if it is greater than
200 ps. All other |
| | | residues are coloured white. The
default colour gradient |
| | | is the same as that of ts.
|
| | |
|
@@ -5358,12 +5358,12 @@
elif model == 'm1' or model == 'm3':
self.classic_order_param(residue, residue.s2,
colour_start, colour_end, colour_list)
- # S2 width and colour (for models m2 and m4 when te <= 100
ps).
- elif (model == 'm2' or model == 'm4') and residue.te <=
100e-12:
+ # S2 width and colour (for models m2 and m4 when te <= 200
ps).
+ elif (model == 'm2' or model == 'm4') and residue.te <=
200e-12:
self.classic_order_param(residue, residue.s2,
colour_start, colour_end, colour_list)
- # White bonds (for models m2 and m4 when te > 100 ps).
- elif (model == 'm2' or model == 'm4') and residue.te >
100e-12:
+ # White bonds (for models m2 and m4 when te > 200 ps).
+ elif (model == 'm2' or model == 'm4') and residue.te >
200e-12:
self.classic_colour(res_num=residue.num, width=0.3,
rgb_array=[1, 1, 1])
# Catch errors.
@@ -5391,8 +5391,8 @@
if hasattr(residue, 'ts') and residue.ts != None:
self.classic_order_param(residue, residue.s2,
colour_start, colour_end, colour_list)
- # S2 width and colour (for models m2 and m4 when te > 100
ps).
- elif (model == 'm2' or model == 'm4') and residue.te > 100 *
1e-12:
+ # S2 width and colour (for models m2 and m4 when te > 200
ps).
+ elif (model == 'm2' or model == 'm4') and residue.te > 200 *
1e-12:
self.classic_order_param(residue, residue.s2,
colour_start, colour_end, colour_list)
# White bonds for fast motions.
@@ -5479,8 +5479,8 @@
if hasattr(residue, 'tf') and residue.tf != None:
self.classic_correlation_time(residue, residue.tf,
colour_start, colour_end, colour_list)
- # te width and colour (for models m2 and m4 when te <= 100
ps).
- elif (model == 'm2' or model == 'm4') and residue.te <=
100e-12:
+ # te width and colour (for models m2 and m4 when te <= 200
ps).
+ elif (model == 'm2' or model == 'm4') and residue.te <=
200e-12:
self.classic_correlation_time(residue, residue.te,
colour_start, colour_end, colour_list)
# All other residues are assumed to have a fast correlation
time of zero (statistically zero, not real zero!).
@@ -5515,8 +5515,8 @@
if hasattr(residue, 'ts') and residue.ts != None:
self.classic_correlation_time(residue, residue.ts /
10.0, colour_start, colour_end, colour_list)
- # te width and colour (for models m2 and m4 when te > 100
ps).
- elif (model == 'm2' or model == 'm4') and residue.te >
100e-12:
+ # te width and colour (for models m2 and m4 when te > 200
ps).
+ elif (model == 'm2' or model == 'm4') and residue.te >
200e-12:
self.classic_correlation_time(residue, residue.te /
10.0, colour_start, colour_end, colour_list)
# White bonds for the rest.
r2933 - /1.3/specific_fns/model_free.py