Hi, While I was running the second script which is called compare.py and is the following:
from modeller import *
env = Environ() aln = Alignment(env) for (pdb, chain) in (('1jfw', 'A'), ('4ogr', 'D'), ('4or5', 'C'), ('3o6l', 'C'), ('3mi9', 'C'), ('1tbc', 'A'), ('1tiv', 'A')): m = Model(env, file=pdb, model_segment=('FIRST:'+chain, 'LAST:'+chain)) aln.append_model(m, atom_files=pdb, align_codes=pdb+chain) aln.malign() aln.malign3d() aln.compare_structures() aln.id_table(matrix_file='family.mat') env.dendrogram(matrix_file='family.mat', cluster_cut=-1.0)
I recieved the following message and I don't know what to do.
You can find many useful example scripts in the examples\automodel directory. It is recommended that you use Python to run Modeller scripts. However, if you don't have Python installed, you can type 'mod10.5' to run them instead.
C:\Program Files\Modeller10.5>cd bin
C:\Program Files\Modeller10.5\bin>cd Modeller_test
C:\Program Files\Modeller10.5\bin\Modeller_test>mod10.5 compare.py 'import site' failed; use -v for traceback Traceback (most recent call last): File "compare.py", line 10, in ? aln.malign3d() File "C:\Program Files\Modeller10.5\modlib\modeller\alignment.py", line 348, in malign3d edit_file_ext) _modeller.ModellerError: fit2xyz_296E> Number of equivalent positions < 3: 0
Please, help me.
On 7/23/24 8:25 AM, Junyi.FENG--- via modeller_usage wrote: > While I was running the second script which is called compare.py and is the > following: ... > _modeller.ModellerError: fit2xyz_296E> Number of equivalent positions < 3: 0
It sounds like you are doing something similar to the basic tutorial at https://salilab.org/modeller/tutorial/basic.html and are trying to compare your identified templates. But your templates are too different to be compared this way (for example, one template covers only the C-terminal region of your target, and another template covers the N-terminal region, so there is no structural overlap between them). In this case, you can just skip this step and use another method to select your templates.
Ben Webb, Modeller Caretaker
participants (2)
-
Junyi.FENG@gustaveroussy.fr
-
Modeller Caretaker