Dear CCP4 Users
We would like to announce the joint release of ARP/wARP version 8.0
and CCP4-7.0.065.
ARP/wARP 8.0 provides a considerably improved performance for X-ray
crystallographic applications and it is now also capable of interpreting
cryo-EM maps at a resolution range 2.0-3.5 Å.
Installation and compatibility
- Checks for software installation have been enhanced
- 32 and 64-bit platforms on OSX and Linux are supported
- ARP/wARP is fully compatible with the latest versions of CCP4 and Refmac
Protein chain tracing
- Protein chain tracing has been made faster and its memory handling
has been improved
- DipCheck conformational space is introduced for the selection of
the chain path
- NCS restraints are now default at resolution 1.5 Å or lower
- Loop closure can now be provided using a new module Loopy2018
Sequence docking and building
- Side chain guess and fit can now be accomplished using a new
module SEQQY
- Handling of large structures has been enhanced and the maximum
number of NCS copies increased to 60
- Both mono- and hetero-multimers can now be handled
DNA/RNA building
- Nucleotide chain tracing is enhanced with the addition of the
second algorithm for phosphate detection
- Nucleotide chain tracing now proceeds in an iterative manner, as
for protein tracing
Identification of crystallographic ligands
- Energy estimate for protein-ligand bound state is introduced
during identification of crystallographic ligands
Solvent building
- Building of solvent structure exploits advanced features of Refmac
including TLS and local NCS restraints.
- Solvent update can optionally be turned off providing a tool for
model refinement with Refmac.
Building models into cryo-EM maps
- Protein and protein-nucleic acid models are built with a minimum user input
- Map over-sharpening is handled automatically
- Partial models can be completed by sequence-docking and loop building
- Models can be refined with a combined real- and reciprocal-space protocol
- A very fast secondary structure modelling option can be used separately.
--------------------------------
An update No 65 for the CCP4-7.0 series automatically installs
ARP/wARP-8.0 on Mac OS X and Linux computers, where ARP/wARP-7.6 has
previously been installed as a part of CCP4 installation. (The
directory arp_warp_7.6 is _not_ removed , but CCP4 i1 and i2 are
switched to version 8.0). In addition, the update No 65 brings the
following changes.
* refmac5: correction to LINK records
* contact: increase MaxSelectedResidues
* dials: inclusion of mock module
* pointless: update to 1.11.6
* rabdam: update to 1.4.1
* crank2: fixes and improvements
* documentation: correction to freerflag documentation
In addition, tarballs and bundles for CCP4 Setup Manager consisting of
CCP4-7.0.065 and ARP/wARP 8.0 are available from CCP4 Downloads:
http://www.ccp4.ac.uk/download
Please report any bugs to c...@stfc.ac.uk.
Many thanks for using CCP4 and ARP/wARP.
The CCP4 Core Team
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