I am expecting hhblits to produce the same alignments when executed on the same input multiple times
Current Behavior
When default settings are used, alignments are the same. But when the defaults are changed even in a non-meaningful way, like adding -e 0.001, results from two runs begin to diverge. The more non-standard options are added, the more the results diverge (alphafold in the archive). Reading the input sequence from file, as opposed to standard input in the steps below, might change the behaviour slightly, but the fundamental problem stays.
Steps to Reproduce (for bugs)
All the scripts and input files are in the archive attached
.
First, run hhblits with default parameters twice:
The same script for validating the results now shows a non-empty diff.
HH-suite Output (for bugs)
All standard output and error streams are included in the archive
Context
I was actually playing with alphafold, and was curious if the same features are used every time. Running hhblits twice on the same input with alphafold settings yields even more different results.
There was a similar issue filed a while ago, #198, but there has been no activity for some time, so I decided to raise another one.
Expected Behavior
I am expecting hhblits to produce the same alignments when executed on the same input multiple times
Current Behavior
When default settings are used, alignments are the same. But when the defaults are changed even in a non-meaningful way, like adding
-e 0.001
, results from two runs begin to diverge. The more non-standard options are added, the more the results diverge (alphafold
in the archive). Reading the input sequence from file, as opposed to standard input in the steps below, might change the behaviour slightly, but the fundamental problem stays.Steps to Reproduce (for bugs)
All the scripts and input files are in the archive attached . First, run hhblits with default parameters twice:
Observe that
test1.a3m
andtest2.a3m
contain the identical set of sequences (there is no diff):Now, modify the hhblits command line slightly:
The same script for validating the results now shows a non-empty diff.
HH-suite Output (for bugs)
All standard output and error streams are included in the archive
Context
I was actually playing with alphafold, and was curious if the same features are used every time. Running hhblits twice on the same input with alphafold settings yields even more different results.
There was a similar issue filed a while ago, #198, but there has been no activity for some time, so I decided to raise another one.
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