Author: bugman Date: Fri Dec 22 04:46:31 2006 New Revision: 2937 URL: http://svn.gna.org/viewcvs/relax?rev=2937&view=rev Log: Ported r2933 from the 1.3 line. The command used was: svn merge -r2932:2933 svn+ssh://bugman@xxxxxxxxxxx/svn/relax/1.3 The commit message of the revision was: Changed the model-free Molmol cutoff for fast and slow motions from 100 to 200 ps. Modified: 1.2/specific_fns/model_free.py Modified: 1.2/specific_fns/model_free.py URL: http://svn.gna.org/viewcvs/relax/1.2/specific_fns/model_free.py?rev=2937&r1=2936&r2=2937&view=diff ============================================================================== --- 1.2/specific_fns/model_free.py (original) +++ 1.2/specific_fns/model_free.py Fri Dec 22 04:46:31 2006 @@ -5244,15 +5244,15 @@ | | | 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 | @@ -5267,14 +5267,14 @@ | 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. | | | | | @@ -5370,12 +5370,12 @@ 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. @@ -5403,8 +5403,8 @@ 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. @@ -5491,8 +5491,8 @@ 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!). @@ -5527,8 +5527,8 @@ 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.