diff --git a/CHANGELOG.rst b/CHANGELOG.rst index 7aee456668ed1cb0023bba8395281ff1b89cfb90..d434b1257396e295db0aa5b8b40317c5353ff698 100644 --- a/CHANGELOG.rst +++ b/CHANGELOG.rst @@ -1,9 +1,11 @@ ========= CHANGELOG ========= --`Future` +- `2.0.2 <https://gitlab.pasteur.fr/nmaillet/rpg/-/releases/2.0.2>`_ Add Elastase, #45 + Update tmpdir to tmp_path in tests + - `2.0.1 <https://gitlab.pasteur.fr/nmaillet/rpg/-/releases/2.0.1>`_ Fix argparse bug preventing -h option to correctly be displayed @@ -12,7 +14,7 @@ CHANGELOG - `2.0.0 <https://gitlab.pasteur.fr/nmaillet/rpg/-/releases/2.0.0>`_ Tested on Python 3.10 et 3.11 - Adding a new enzyme (43), Asp-N without cleaving Cysteines + Adding a two enzymes (43 and 44), Asp-N without cleaving Cysteines and ProAlanase Prevent RPG to take more CPUs than -c option diff --git a/README.rst b/README.rst index c9a93ff9caa48f7278d6bd03150b222c811d7fb5..64c3907c200e13ccc10a4c4ea8f855aa75cab481 100644 --- a/README.rst +++ b/README.rst @@ -37,7 +37,7 @@ RPG is a python tool taking a (multi-)fasta/fastq file (gzipped or not) of prote The resulting peptides contain information about positions of cleavage site, peptide sequences, length, mass as-well as an estimation of isoelectric point (pI) of each peptide. Shortly, the isoelectric point is the pH at which a peptide carries no net electrical charge and a good approximation can be computed on small molecules. Results are outputted in multi-fasta, CSV or TSV file. -Currently, 43 enzymes and chemicals are included in RPG. The user can easily design new enzymes, using a simple yet powerful grammar. This grammar allows the user to design complex enzymes like trypsin or thrombin, including many exceptions and different cleavage sites. User-defined enzymes are then interpreted by RPG and included in the local installation of the software. +Currently, 45 enzymes and chemicals are included in RPG. The user can easily design new enzymes, using a simple yet powerful grammar. This grammar allows the user to design complex enzymes like trypsin or thrombin, including many exceptions and different cleavage sites. User-defined enzymes are then interpreted by RPG and included in the local installation of the software. RPG follows the standards for software development with continuous integration on Gitlab (https://gitlab.pasteur.fr/nmaillet/rpg) and automatic on-line documentation (https://rapid-peptide-generator.readthedocs.io). diff --git a/docs/enzymes.rst b/docs/enzymes.rst index a9ef63abca24a8571e6511fe7764d17d0f4e3ee6..16f26f247594638f3dd2658221ef72a942abbc3e 100644 --- a/docs/enzymes.rst +++ b/docs/enzymes.rst @@ -38,7 +38,7 @@ Available enzymes 34: :ref:`peps2` 35: :ref:`prol` 36: :ref:`protk` 37: :ref:`staphI` 38: :ref:`therm` 39: :ref:`throm` 40: :ref:`thromsg` 41: :ref:`tev` 42: :ref:`tryps` -43: :ref:`asp-n2` 44: :ref:`proa` +43: :ref:`asp-n2` 44: :ref:`proa` 45: :ref:`elast` ================== ================== ================== .. _arg-c: @@ -898,3 +898,20 @@ cleaving rule: * ``(A or P,)`` More information: https://france.promega.com/products/mass-spectrometry/proteases-and-surfactants/proalanase-mass-spec-grade?catNum=VA2161 + + + +.. _elast: + +Elastase +........ + +Elastase preferentially cleaves after A, V, S, G, L, or I (`P1`). + +**RPG definition:** + +cleaving rule: + +* ``(A or V or S or G or L or or I,)`` + +More information: https://france.promega.com/products/mass-spectrometry/proteases-and-surfactants/elastase/?catNum=V1891 diff --git a/docs/userguide.rst b/docs/userguide.rst index 3b506a771511c7c6aac112acd4dc3d023247d354..3a759d8d4ac320cd1c076e4d78a5caac8e3e6927 100644 --- a/docs/userguide.rst +++ b/docs/userguide.rst @@ -480,7 +480,7 @@ The surrounding context is specified by adding other amino acids, before or afte (C)()(B)(,A)(D) -Note that this enzyme will only cleave if it finds the motif C*BAD, where * could be **any** amino acid. It will **not** cleave BAD, nor C*BA, BA, etc. For example, creating and using enzyme `rpg_example_userguide` (enzyme id 43): +Note that this enzyme will only cleave if it finds the motif C*BAD, where * could be **any** amino acid. It will **not** cleave BAD, nor C*BA, BA, etc. For example, creating and using enzyme `rpg_example_userguide` (enzyme id 46): .. code-block:: none @@ -496,13 +496,13 @@ Note that this enzyme will only cleave if it finds the motif C*BAD, where * coul Add another enzyme? (y/n) n - $ rpg -s CWBADE -e 43 + $ rpg -s CWBADE -e 46 >Input_0_rpg_example_userguide_3_3_307.36728_5.46 CWB >Input_1_rpg_example_userguide_6_3_333.29818_3.4 ADE - $ rpg -s FAD -e 43 + $ rpg -s FAD -e 46 >Input_0_rpg_example_userguide_0_3_351.35928_3.6 FAD @@ -535,19 +535,19 @@ It is important to note that for each enzyme, it is enough that one of the rule Add another enzyme? (y/n) n - $ rpg -s CWBADE -e 43 + $ rpg -s CWBADE -e 46 >Input_0_rpg_example_userguide_3_3_307.36728_5.46 CWB >Input_1_rpg_example_userguide_6_3_333.29818_3.4 ADE - $ rpg -s FAD -e 43 + $ rpg -s FAD -e 46 >Input_0_rpg_example_userguide_1_1_165.19188_5.54 F >Input_1_rpg_example_userguide_3_2_204.18268_3.6 AD - $ rpg -s BAD -e 43 + $ rpg -s BAD -e 46 >Input_0_rpg_example_userguide_0_3_204.18268_3.6 BAD @@ -629,13 +629,13 @@ This enzyme will always cleave before A when not followed by P: Add another enzyme? (y/n) n - rpg -s CWBADE -e 43 + rpg -s CWBADE -e 46 >Input_0_rpg_example_userguide_3_3_307.36728_5.46 CWB >Input_1_rpg_example_userguide_6_3_333.29818_3.4 ADE - rpg -s CWBAPE -e 43 + rpg -s CWBAPE -e 46 >Input_0_rpg_example_userguide_0_6_604.67828_3.6 CWBAPE @@ -669,25 +669,25 @@ This enzyme will always cleave before A (`P1'` ) when not followed by P (`P2'` ) Add another enzyme? (y/n) n - rpg -s CWBADE -e 43 + rpg -s CWBADE -e 46 >Input_0_rpg_example_userguide_3_3_307.36728_5.46 CWB >Input_1_rpg_example_userguide_6_3_333.29818_3.4 ADE - rpg -s CWBAPE -e 43 + rpg -s CWBAPE -e 46 >Input_0_rpg_example_userguide_0_6_604.67828_3.6 CWBAPE - rpg -s GTBAMF -e 43 + rpg -s GTBAMF -e 46 >Input_0_rpg_example_userguide_0_6_525.62028_5.54 GTBAMF - rpg -s GTBAPE -e 43 + rpg -s GTBAPE -e 46 >Input_0_rpg_example_userguide_0_6_473.48328_3.6 GTBAPE - rpg -s GTBAME -e 43 + rpg -s GTBAME -e 46 >Input_0_rpg_example_userguide_3_3_176.17228_5.54 GTB >Input_1_rpg_example_userguide_6_3_349.40218_3.6 diff --git a/rpg/RapidPeptidesGenerator.py b/rpg/RapidPeptidesGenerator.py index 3c12518439227820fe15aa98b99d4e28dbcc44f7..5bac3155e751d04acb49d020f54b0271ab1dd134 100644 --- a/rpg/RapidPeptidesGenerator.py +++ b/rpg/RapidPeptidesGenerator.py @@ -29,9 +29,9 @@ necessary functions """ -__version_info__ = ('2', '0', '1') +__version_info__ = ('2', '0', '2') __version__ = '.'.join(__version_info__) -__revision_date__ = "2023-03-14" +__revision_date__ = "2023-10-06" __author__ = "Nicolas Maillet" import argparse diff --git a/setup.py b/setup.py index ab7f08da9c7e1e30bea645c4dd63e5dce17cc4eb..bb848aaa3353ad8bfde26b8eaab0d93f039b14e1 100644 --- a/setup.py +++ b/setup.py @@ -36,7 +36,7 @@ setup( # For a discussion on single-sourcing the version across setup.py and the # project code, see # https://packaging.python.org/en/latest/single_source_version.html - version='2.0.1', # Required + version='2.0.2', # Required # This is a one-line description or tagline of what your project does. This # corresponds to the "Summary" metadata field: