foxs works fine.
test_saxs_restraint.py gives assertion errors:
> FAIL: test_SAXSRestraint (__main__.Tests) > ---------------------------------------------------------------------- > Traceback (most recent call last): > File "test_saxs_restraint.py", line 41, in test_SAXSRestraint > self.assertAlmostEqual(saxs_rest.evaluate(), 0.107, delta = 0.01) > AssertionError: 21.697142074172216 != 0.107 within 0.01 delta > > ====================================================================== > FAIL: test_SAXSRestraint_residue (__main__.Tests) > ---------------------------------------------------------------------- > Traceback (most recent call last): > File "test_saxs_restraint.py", line 51, in test_SAXSRestraint_residue > self.assertAlmostEqual(saxs_rest2.evaluate(), 0.491, delta = 0.01) > AssertionError: 21.832825619163884 != 0.491 within 0.01 delta > > ---------------------------------------------------------------------- > Ran 2 tests in 0.149s > > FAILED (failures=2) >
but i assume this is because the values being asserted apply to multi_A.pdb.dat.
i can send over the .dat file if that's helpful ?
thanks,
On 30 November 2016 at 14:44, Dina Schneidman duhovka@gmail.com wrote:
> try to use your experimental profile in the SAXSRestraint test, > modules/pmi/test/test_saxs_restraint.py instead of "multi_A.pdb.dat" and > see if you get the same error message from the test. > you can also try foxs (with any protein and this profile) to see if your > profile file format is ok. > > On Wed, Nov 30, 2016 at 3:38 PM, Josh Bullock jma.bullock@gmail.com > wrote: > >> okay thanks for the advice. >> >> Just trying to get SAXSRestraint working now ... >> >> I get the following error: >> >>> Profile is not sampled for q = 0.0054794, q_max = 0.5 >>> You can remove points with q > 0.5 from the experimental profile or >>> recompute the profile with higher max_q >>> >> >> I'm slightly confused as 0.0054795 < 0.5, and also there are no values in >> my .dat file above 0.5. Finally, there doesn't seem to be a way to alter >> the max_q through the pmi module, would i have to go through the C++ ? >> >> Thanks, >> >> josh >> >> _______________________________________________ >> IMP-users mailing list >> IMP-users@salilab.org >> https://salilab.org/mailman/listinfo/imp-users >> >> > > _______________________________________________ > IMP-users mailing list > IMP-users@salilab.org > https://salilab.org/mailman/listinfo/imp-users > >