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The example demo_ExperimentDesign.mcx with the following script:
% MMMx Demo: Functionality of the ExperimentDesign module
%
# log
!ExperimentDesign
import 2LZM T4L % load T4 lysozyme crystal structure
import 2ADC RRM % load NMR structure of an RNA recognition motif
sitescan mtsl T4L T4L_sites % sitescan for T4 Lysozyme, default set CILMSTV of residues
sitescan mtsl RRM RRM_sites I % sitescan for the protein part of the RRM, only isoleucine
sitescan iap-4tu RRM SL_sites u 1 0.1 % sitescan (only uracil) for the RNA part
pairlist T4L_sites T4L T4L_pairs 15 80 % a site pair list for T4 lysozyme
hetpairlist RRM_sites SL_sites RRM RRM_pairs 15 80
plot T4L_distributions pdf
distributions mtsl T4L T4L_distribution
68 131
72 131
75 131
76 131
79 131
86 131
89 131
109 131
.distributions
plot RRM_distributions pdf
distributions mtsl|iap-4tu RRM RRM_distribution
RRM_pairs
.distributions
import 1BUY EPO % import what was once very popular in professional cycling
sitescan mtsl EPO EPO_sites % perform site scan
ENMpairs EPO_sites EPO EPO_enm_pairs 15 80 % score site pairs for elastic network modeling
.ExperimentDesign
# report
results in the following error
Undefined function 'coor2dmat' for input arguments of type 'double'.
Error in score_enm_pairs (line 127)
dmat0 = coor2dmat(labels0); % label-to-label distance matrix for initial structure
Error in module_experiment_design (line 587)
[c_entity,pairs] = score_enm_pairs(c_entity,sites,labels,cmd.fname,cmd.r_min,cmd.r_max);
Error in MMModel (line 101)
[entity,module_exceptions,failed] = module_experiment_design(controller(module),logfid);
Error in MMMx (line 27)
exceptions = MMModel(control_file);
The text was updated successfully, but these errors were encountered:
The example
demo_ExperimentDesign.mcx
with the following script:results in the following error
The text was updated successfully, but these errors were encountered: