Comments (4)
The relationship between Reduce and Reduce2 is described in the README.md associated with Reduce2 at https://github.com/cctbx/cctbx_project/blob/master/mmtbx/reduce/README.md and in the Reduce2 Status and Planning document linked from it, which is at https://docs.google.com/document/d/1ogzS6QlBnPJRGU2CNzHvw0KhV8E5fXdwO1TwUEM7GQc/edit#heading=h.pejxuuanr2uc
As of now, there are some serious outstanding issues with Reduce2 that might keep you from switching, even though there are improvements as well. These are listed in the documents pointed to.
from reduce.
Very glad that you are finding the tool to be helpful!
Recent development effort has gone into porting the code to be installed as part of CCTBX, with the command-line name mmtbx.reduce2.
The overall project repository is at https://github.com/cctbx/cctbx_project (which has installation instructions in the README.md) and the specific directory is at https://github.com/cctbx/cctbx_project/tree/master/mmtbx/reduce
There is a link at the bottom of the project's README.md that points to a Google document that describes the current state of the project.
from reduce.
Thank you for explaining the situation.
Can I ask a question for mmtbx.reduce2
?
Is there any documant describing reduce
and mmtbx.reduce2
?
I want to know the differences between the two versions because of switching.
from reduce.
Thank you for your detailed answer.
I will check them out!
from reduce.
Related Issues (20)
- element column wrong after flip
- Not able to install reduce through cmake HOT 2
- Not able to use reduce with seemingly correct installation HOT 3
- SIGUIJ output format incompatible with Biopython
- Installation fails at Linking CXX shared module HOT 4
- Processing structures with different forms of histidine... HOT 2
- WARNING: atom from a het group will be treated as hydrogen/carbon HOT 2
- Residue names for custom het groups HOT 1
- license clarification HOT 5
- Encounter problem while installation HOT 2
- N-terminal detection too strict HOT 2
- Provide a prefix at configure time HOT 3
- Return code for abandoned clique search indistinguishable from critical errors
- An error after adding '/user/local/bin" to the environment variable PATH in the virtual environment
- Reduce crashing inside Phenix refine, reported by Tom Terwilliger HOT 6
- help with data pre-processing HOT 2
- Duplicate hydrogens added HOT 2
- Floating point accuracy problem with flips can lead to invalid coordinates HOT 1
- Crash in RotMethyl::scoreThisAngle
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from reduce.