From 0fad87e82b103082d6e40f28cf33c776d2128f32 Mon Sep 17 00:00:00 2001 From: Jochem Smit Date: Sun, 8 Nov 2020 19:38:53 +0100 Subject: [PATCH] added license file headers --- hdxrate/expfact/api.py | 20 ++++++++++++++++++++ hdxrate/expfact/constants.py | 19 +++++++++++++++++++ hdxrate/expfact/kint.py | 19 +++++++++++++++++++ hdxrate/hdxrate.py | 21 ++++++++++++++++++++- 4 files changed, 78 insertions(+), 1 deletion(-) diff --git a/hdxrate/expfact/api.py b/hdxrate/expfact/api.py index e3aa2d8..8a8902c 100644 --- a/hdxrate/expfact/api.py +++ b/hdxrate/expfact/api.py @@ -1,3 +1,23 @@ +""" +This script provides and API to expfact intrinsic exchange rate calculation +Copyright (C) 2020 Jochem Smit + +This program is free software: you can redistribute it and/or modify +it under the terms of the GNU General Public License as published by +the Free Software Foundation, either version 3 of the License, or +(at your option) any later version. + +This program is distributed in the hope that it will be useful, +but WITHOUT ANY WARRANTY; without even the implied warranty of +MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the +GNU General Public License for more details. + +You should have received a copy of the GNU General Public License +along with this program. If not, see . + +""" + + from hdxrate.expfact.kint import calculate_kint_per_residue import numpy as np diff --git a/hdxrate/expfact/constants.py b/hdxrate/expfact/constants.py index 178ed46..7db5712 100644 --- a/hdxrate/expfact/constants.py +++ b/hdxrate/expfact/constants.py @@ -1,3 +1,22 @@ +""" +This script calculates the intrinsic deuteration rates of each residue of a protein into D2O +Copyright (C) 2019 Simon Skinner + +This program is free software: you can redistribute it and/or modify +it under the terms of the GNU General Public License as published by +the Free Software Foundation, either version 3 of the License, or +(at your option) any later version. + +This program is distributed in the hope that it will be useful, +but WITHOUT ANY WARRANTY; without even the implied warranty of +MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the +GNU General Public License for more details. + +You should have received a copy of the GNU General Public License +along with this program. If not, see . + +""" + from math import exp, log10 # Here are the parameters measured in Bai et al. (1993) diff --git a/hdxrate/expfact/kint.py b/hdxrate/expfact/kint.py index 0a275e4..624a2f6 100644 --- a/hdxrate/expfact/kint.py +++ b/hdxrate/expfact/kint.py @@ -1,3 +1,22 @@ +""" +This script calculates the intrinsic deuteration rates of each residue of a protein into D2O +Copyright (C) 2019 Simon Skinner + +This program is free software: you can redistribute it and/or modify +it under the terms of the GNU General Public License as published by +the Free Software Foundation, either version 3 of the License, or +(at your option) any later version. + +This program is distributed in the hope that it will be useful, +but WITHOUT ANY WARRANTY; without even the implied warranty of +MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the +GNU General Public License for more details. + +You should have received a copy of the GNU General Public License +along with this program. If not, see . + +""" + #!/usr/bin/python # This script calculates the intrinsic deuteration rates of each residue diff --git a/hdxrate/hdxrate.py b/hdxrate/hdxrate.py index f3aa0b4..12c22ea 100644 --- a/hdxrate/hdxrate.py +++ b/hdxrate/hdxrate.py @@ -1,4 +1,23 @@ -"""Main module.""" +""" +This script provides and API to expfact and psx intrinsic exchange rate calculation +Copyright (C) 2020 Jochem Smit + +This program is free software: you can redistribute it and/or modify +it under the terms of the GNU General Public License as published by +the Free Software Foundation, either version 3 of the License, or +(at your option) any later version. + +This program is distributed in the hope that it will be useful, +but WITHOUT ANY WARRANTY; without even the implied warranty of +MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the +GNU General Public License for more details. + +You should have received a copy of the GNU General Public License +along with this program. If not, see . + +""" + + from hdxrate.expfact.api import calc_k_int as expfact_k_int from hdxrate.psx.api import calc_k_int as psx_k_int