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With files from https://www.bonvinlab.org/protein-detective/em_prepare.html I am getting warnings now
powerfit emd_33292-7xm9-B-3.48.cheated.mrc 3.3 7xm9.B-reoriented.gemmi.pdb -a 20 -l -d run-KsgA-py3f2
Target file read from: /home/stefanv/git/protein-detective/protein-detective/docs/emd_33292-7xm9-B-3.48.cheated.mrc
Target resolution: 3.30
Initial shape of density: 99 71 61
Shape after trimming: 94 71 59
Shape after extending: 96 72 60
Template file read from: /home/stefanv/git/protein-detective/protein-detective/docs/7xm9.B-reoriented.gemmi.pdb
Reading in rotations.
Requested rotational sampling density: 20.00
Real rotational sampling density: 20.83
Requested number of processors: 1
Starting search
/home/stefanv/git/protein-detective/powerfit/src/powerfit_em/correlators/cpu.py:155: RuntimeWarning: invalid value encountered in sqrt
self.lcc_scan = np.where(self.vars.lcc_mask, self.vars.gcc / np.sqrt(var), 0.0)
/home/stefanv/git/protein-detective/powerfit/src/powerfit_em/correlators/cpu.py:155: RuntimeWarning: divide by zero encountered in divide
self.lcc_scan = np.where(self.vars.lcc_mask, self.vars.gcc / np.sqrt(var), 0.0)
/home/stefanv/git/protein-detective/powerfit/src/powerfit_em/correlators/cpu.py:155: RuntimeWarning: invalid value encountered in divide
self.lcc_scan = np.where(self.vars.lcc_mask, self.vars.gcc / np.sqrt(var), 0.0)
Processing rotations 100% ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 648/648 [ 0:00:16 < 0:00:00 , 39 rot/s ]
Time for search: 0m 19s
Analyzing results
Writing solutions to file.
Writing PDBs to file.
Total time: 0m 20sThe master branch does not show these errors, either solve or silence the warnings.
Originally posted by @sverhoeven in #66 (review)
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