recipe tortoize

Application to calculate ramachandran z-scores

Homepage:

https://github.com/PDB-REDO/tortoize

Documentation:

https://github.com/PDB-REDO/tortoize/blob/trunk/doc/tortoize.pdf

License:

BSD / BSD-2-Clause

Recipe:

/tortoize/meta.yaml

Links:

doi: 10.1016/j.str.2020.08.005

Tortoize validates protein structure models by checking the Ramachandran plot and side-chain rotamer distributions. Quality Z-scores are given at the residue level and at the model level (ramachandran-z and torsions-z). Higher scores are better. To compare models or to describe the reliability of the model Z-scores jackknife- based standard deviations are also reported (ramachandran-jackknife-sd and torsion-jackknife-sd).

package tortoize

versions:

2.0.15-0

depends bzip2:

>=1.0.8,<2.0a0

depends dssp:

>=4.5.3,<4.6.0a0

depends libboost:

>=1.86.0,<1.87.0a0

depends libcifpp:

>=8.0.1,<9.0a0

depends libgcc:

>=13

depends libstdcxx:

>=13

depends libzlib:

>=1.3.1,<2.0a0

requirements:

additional platforms:

linux-aarch64,  osx-arm64

Installation

You need a conda-compatible package manager (currently either micromamba, mamba, or conda) and the Bioconda channel already activated (see set-up-channels).

While any of above package managers is fine, it is currently recommended to use either micromamba or mamba (see here for installation instructions). We will show all commands using mamba below, but the arguments are the same for the two others.

Given that you already have a conda environment in which you want to have this package, install with:

   mamba install tortoize

and update with::

   mamba update tortoize

To create a new environment, run:

mamba create --name myenvname tortoize

with myenvname being a reasonable name for the environment (see e.g. the mamba docs for details and further options).

Alternatively, use the docker container:

   docker pull quay.io/biocontainers/tortoize:<tag>

(see `tortoize/tags`_ for valid values for ``<tag>``)

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