From 76cf4301d015199e26e61b2c120866a28023cdcf Mon Sep 17 00:00:00 2001 From: Lorenzo Rovigatti Date: Fri, 19 Feb 2021 10:06:27 +0100 Subject: [PATCH] Prepare the repo for the new release --- CHANGELOG | 14 ++++++++++++++ README.md | 7 +++++++ requirements.txt | 1 + 3 files changed, 22 insertions(+) create mode 100644 CHANGELOG create mode 100644 requirements.txt diff --git a/CHANGELOG b/CHANGELOG new file mode 100644 index 0000000..9c03fd1 --- /dev/null +++ b/CHANGELOG @@ -0,0 +1,14 @@ +v 1.1 (19th February 2021) + - Port the code to Python 3 + - Normalise the usage and output of all the different tools + - Add a vHelix -> oxDNA converter + - Add a rpoly -> oxDNA converter + - Make the LAMMPS -> oxDNA converter support the conversion of whole trajectory files + - Add an option to the cadnano converter to output an oxview-related file + - Add RNA support to the PDB reader + - Improve the parsing of PDB files + - Fix several bugs in the PDB -> oxDNA and oxDNA -> PDB converters + - Fix several bugs in the cadnano converter + +v 1.0 (19th June 2019) + - First release diff --git a/README.md b/README.md index eec728c..a6cf86f 100644 --- a/README.md +++ b/README.md @@ -4,6 +4,13 @@ tacoxDNA (Tools and Converters for oxDNA) is a collection of tools initially dev A. Suma, E. Poppleton, M. Matthies, P. Šulc, F. Romano, A. A. Louis, J. P. K. Doye, C. Micheletti and L. Rovigatti, ["TacoxDNA: A user‐friendly web server for simulations of complex DNA structures, from single strands to origami"](https://doi.org/10.1002/jcc.26029), *J. Comput. Chem.* **40**, 2586 (2019) +## Requirements + +* Python 3 (any version should work). If you want to stick to Python 2 check out the corresponding branch. +* `numpy` + +## Tools + The sections that follow introduce the tools and their usage. * [Generator for twisted and knotted configurations](#generator-for-twisted-and-knotted-configurations) diff --git a/requirements.txt b/requirements.txt new file mode 100644 index 0000000..296d654 --- /dev/null +++ b/requirements.txt @@ -0,0 +1 @@ +numpy \ No newline at end of file