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@ConorFWild
- Please create separate map files for common downstream programs (coot/pymol) and their respective offset formats
- Please increase the cutoff radius for the maps
see this [slack threa…
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Hi.
I implemented TSP with MTZ subtour elimination approach.
I found that Highs reported feasible solutions but they violate the constraint and were actually infeasible.
I implemented the model b…
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Update Duncan's 2021/22 work to accommodate new schema in fine-grained downloads. Includes crystallography data and stuff.
Ideally, this would be fixed for the green release (Fragalysis v2), so th…
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### Description
There are several proposals to solve optimization problems using Quantum Algorithms, some examples can be found in the Qiskit textbook, were an application of the Quantum Approximate …
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I have a pseudo-orthorhombic dataset that can be *roughly* solved in P212121 but is not quite right. Trying to find out which axis has the crystallographic symmetry, I tried merging in P2111, P1211 an…
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Hi Zach,
based on our conversation, I had an issue with copying daily data from one DSS file which has an annotation in it (probably causing the issue).
Here is the error message:
{
"name": "V…
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Hi All,
I just recently installed v3.0.0 on a cluster and get the error when calling the function **load_mtz** in the GUI:
```
PyMOL>load_mtz lyso_38_2_ccp4_94P42212.mtz
Incentive-Only-Error: "…
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For the green release:
1. Zika helicase - XX01ZVNS2B
- by 15/12/23
- uploaded by: Conor, Tim
- upload the complete dataset as determined by Xiaomin
For the dark purple release:
1. 3C …
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Hi,
I setup the github repository in my location machine (Ubuntu 22) by cloning the repository and following the instructions in the README file.
After which, I rand the code with the example fi…
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At least, perhaps we should avoid doing so - if it is needed in > 1 `command_line` then it should be under the source tree somewhere else
```
Grey-Area dials :) [main] $ git grep command_line src…