PReSTO version control and releases

We have placed each individual software package in PReSTO under version control. Every PReSTO release come with a specific default (D) version installed for each individual software package. We can then test new versions of installed software, without disturbing the already installed software version. Prior to version control, every new install overwrite the previous installation.

The PReSTO menu is connected to the default (D) version of the latest release.

Sometimes researchers want to use the very latest version of an individual software package. The very latest version might already be installed, however not yet released due to testing and configuring of many packages that made up a PReSTO release. To see what versions are installed and available of each software package, please e.g. use module avail CCP4 or module --ignore-cache avail CCP4 to get a list of CCP4 versions installed.

Major PReSTO releases, minor PReSTO releases and software default versions

Today in September 2023, structural biology softwares at NSC Tetralith defaults (D) into versions that correspond to PReSTO 9.0 release and we track features and limitations. The minor releases are not tracked at this page and the latest installs can be found using module --ignore-cache avail software for instance module --ignore-cache avail XDSAPP3/ for XDSAPP3.

PReSTO users can get a list of all software available in PReSTO 9.0 by

module -t --redirect avail | fgrep PReSTO-9.0

however we list it here as well.

PReSTO release: PReSTO-8.0 PReSTO-9.0

adxv

1.9.15

1.9.15

ALBULA

4.0.1

4.1.3

AlphaFold

2.2.0

2.2.0

APBS

1.5

1.5

ATSAS

3.0.5

3.0.5

arcimboldo_lite in CCP4 8.0

CCP48.0.9

CCP48.0.13

autoPROC

20230222

20230726

bitshuffle

0.3.5

0.5.1

BUSTER

20230217

20220726

CCP4 v7.0

7.0.078

7.0.078

CCP4 v8.0

8.0.009

8.0.013

CCPN

3.0.4

3.0.4

Cheetah

0.2.1

0.2.1

Chimera

1.16

1.17

ChimeraX

1.4

1.6.1

cisTEM

1.0.0

1.0.0

CNS

1.3

1.3

CoordgenLibs

3.0.1

3.0.1§

crYOLO

1.8.2

1.8.2§

cryoDRGN

none

2.3.0

cryosparc

3.3.2

3.3.2§

CrystFEL

0.10.2

0.10.2

ctffind (with and without CUDA)

4.1.14

4.1.14

CUDA 8

8.0.61

8.0.61

CUDA 10

10.1.243

10.1.243

CUDA 11

11.4.1

11.3.1

cuDNN

7.6.4.38

7.6.4.38§

DIALS standalone

3.13.0

3.16.0

Durin

2019v1

2019v1

EMAN2

2.91

2.91

fastDiffractionImageProcessing

20200121

20200121

foss

2019b

2021a

fosscuda

2019b

2019b§

Gautomatch

0.56

0.56

GCC

8.3.0

10.3.0

GCCcore

8.3.0

10.3.0

gcccuda

2019b

2019b§

GConf

3.2.6

3.2.6§

Gctf-VPP

1.18

1.18

Gctf

1.06

1.06

generate_XDS.INP

1.13

1.17

gompi

2019b

2021a

gompic

2019b

2019b§

h5py

2.10.0

3.2.1

H5ToXds

1.1.0

1.1.0

HDF5

1.10.5

1.10.7$

hkl2map

0.4.e-beta

0.4.e-beta

iMosflm

7.4.0

7.4.0

LigPlotPlus

none

2.2.8

maeparser

1.3.0

1.3.0§

MariaDB

10.4.13

10.4.13§

MddNMR

2.7

2.7

Mesa

19.1.7

19.1.7§

MolProbity

4.02-528

4.02-528

MotionCor2

1.5.0

1.6.4

msgpack-c

4.0.0

4.0.0§

NanoPeakCell

0bce0c6

0bce0c6

NCCL

2.4.8

2.10.3

NMRpipe

11.1

11.1

nXDS

20220330

20230320

O

14.1

14.1§

pdb2ins

20180111

20180111

Phenix

1.20.1-4487

1.20.1-4487

pipedream part of BUSTER

1.3.1

1.4.0

pocl

1.4

1.4§

POV-Ray

3.7.0.7

3.7.0.7

PRESTO-EM

8.0

9.0

PRESTO-NMR

8.0

9.0

PRESTO

8.0

9.0

protobuf

3.10.0

3.10.0§

pyFAI

0.19.0

0.21.3

PyMOL

2.5.0

2.5.0

PyRosetta

4-331

4-342

python-hostlist

1.21

1.21§

Relion-CPU

4.0.0

4.0.0

Relion-GPU

4.0.0

4.0.0

rhofit part of BUSTER

1.2.8

1.2.8

Rosetta in Phenix 1.20.1-4487

3.10

3.10

Scipion

3.0.10

3.0.12

SHARP

2.8.12

2.8.12

SHELX in CCP4 v 8.0

CCP4 8.0

CCP4 8.0

ShelXle

1499

1554

silx

0.13.2

0.13.2§

SPOT2PDB

20190621

20190621

TensorFlow

1.15.5

1.15.5§

tqdm

4.41.4

4.41.4§

USF Uppsala Software Factory

20110630

20110630

XDS-Viewer

0.7

0.7

XDS

20210324

20230630

XDS_from_H5.py

0.3.0

0.3.0§

XDSAPP3

3.1.9

3.1.9

XDSCC12

20201209

20201209

XDSGUI

20201022

20230505

XDSSTAT

20210827

20210827

XGANDALF

20210730

20210730

Xia2 in standalone DIALS

3.13.0

3.16.0

Xmipp

3.0.21.06

3.23.03

XSCALE_ISOCLUSTER

20200727

20200727

§ Not available in PReSTO-9.0 but present in PReSTO-8.0 $ All HDF5 versions are 1.10.7, 1.12.1, and 1.12.1-ts


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