10 * Add the ``sequest-rally`` code variant. This is an adaptation of the
11 greylag code to run the Yates' lab's SEQUEST binary. Although it may not be
12 useful in itself, it contains a number of improvements that should be folded
13 into the main greylag code.
19 * New program ``greylag-reannotate`` takes a set of SQT files and a FASTA
20 database and reannotates the found peptides as if the search had been done
21 against the specified database. (This is usually much faster than redoing
24 This command will work on SQT files produced by greylag or SEQUEST, and
25 fixes some truncation problems in loci generated by the latter. It also
26 produces better flanking residues and handles isobaric residues more
29 * ``greylag-validate --prefer-closer-mass`` now has better charge alias
32 * ``maximum_missed_cleavage_sites`` now defaults to 1.
34 * Carriage return characters in ms2 files are now handled better.
40 * Fix some subtle but significant bugs in peak scoring and validation. These
41 were found by comparing greylag and MyriMatch results. Greylag's results
42 are now more similar to those of MyriMatch.
44 * New program ``greylag-call-proteins`` takes the validated peptide list from
45 ``greylag-validate`` and assigns them to specific protein groups using the
48 * New filter flags to ``greylag-validate`` to support high-accuracy spectra
49 (e.g., Orbitrap). This should help greylag to more often correctly
50 distinguish between, for example, trimethlyation, acetylation, and
53 The new ``-exact-ptms`` flag supports validation of specific peptide
54 modifications, as opposed to the peptide in general (with whatever
57 The ``--bootstrap`` flag provides a rough estimation of validation
60 * Better performance on single hosts.
64 * Many other bug fixes and improvements.
70 * Fix validation bugs.
72 * Better ``greylag-chase`` error reporting back to user.
74 * Add basic Markov shuffle to ``greylag-shuffle-database``.
76 * Add ``--mass-error-histogram`` to ``greylag-validate``.
78 * Add ``greylag-flatten-fasta`` utility.
80 * Reduce RAM and open file requirements of various programs. In particular,
81 ``greylag-chase`` no longer requires RAM linear in the number of spectra
88 * Significant improvements to ``greylag-validate``, including saturation and
89 FDR adjustment. There is now no need to use DTASelect for further quality
92 * Search for basic terminal modifications now works.
94 * Better logging, modification tracking in output.
102 * Initial internal release. Based on the new "rally" master/slave parallel
107 - ``greylag-merge`` is currently not working
108 - some fields of the SQT output are not calculated
109 - N15 is the only isotope currently supported.
110 - N- and C-terminal modification handling may not be correct.
112 See also the TODO file.