sct | SCT : Suite of tools for atomistic modelling of SAS data | Machine Learning library
kandi X-RAY | sct Summary
kandi X-RAY | sct Summary
sct is a suite of software tools designed to aid the comparison of molecular models of biological systems to small angle scattering data. small angle x-ray and neutron-scattering techniques (known as saxs and sans nrespectively) are low resolution techniques that can characterize protein structure in solution. they are of particular utility when large proteins cannot be crystallized and in systems where solution conditions affect the structure adopted. atomistic models of the average structure can be generated through constrained modelling, a technique in which known structures (such as domain or subunit crystal structures) are combined with linker models to produce candidate global conformations. homology modelling techniques and simulation methodologies such as monte carlo or molecular dynamics
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Top functions reviewed by kandi - BETA
- Perform sas analysis
- Calculate the analysis of a theory
- Analyze a sphere model
- R Generate a scattering curve
- Calculate r histogram
- Return the square form of a sphere squared square
- Reads scattering curves
- Fetch the sas curve descriptors for a curve
- Write a summary header to the output
- Create comparison header text
- Compute the difference between two sources
- Compute the residual residual
- Compute the residual residual of a box
- Write a pdb file to a pdb file
- Write a PDB file
- Calculate the AUC output
- Calculate the difference between two residues
- Reads a PDB file
- Parse arguments
- Process a PSF file
- Check arguments
- Process experimental data
- Parse parameter file
- Calculate the water option for a box option
- Produce a classic output of SLU
- Read PDB ATOM data from a PDB file
sct Key Features
sct Examples and Code Snippets
Community Discussions
Trending Discussions on sct
QUESTION
The short version is this: The /Patient/[ID]/$everything for the example patient shown below has a reference to a procedure that is not also included in the /Patient/$everything resource.
Specifically: This example is from synthea. Synthea is an amazing tool that provides synthetic patients in FHIR format. (https://synthea.mitre.org/)
I have this example patient: https://syntheticmass.mitre.org/v1/fhir/Patient/5acc8bb4-2d14-4461-a560-228d96459cc3
This exists in the $everything resource as part of a claim resource:
...ANSWER
Answered 2022-Mar-14 at 23:08Why is the Procedure resource not in the /Patient/$everything?
That's an error that should be reported against Synthea
Are there other synthea data sets that might be helpful to us (I’m pretty sure I’ve heard of a covid one that’s out there somewhere).
I don't know; google might be your friend
QUESTION
I have a simple code here:
...ANSWER
Answered 2022-Mar-13 at 01:34As explained on https://python-mss.readthedocs.io/examples.html, something like this should work:
QUESTION
I have a dataset with ~ 150 countries, a grouping variable, and a value for each country and group (0-6). I am trying to show, that countries with a higher GDP get higher values in one group than the other. I made a scatterplot showing the values for each country by group (the countries are sorted by GDP). I want to draw a line around the points, so it becomes more aparent which group has higher values in which range of GDP. I am however, at a loss.
...ANSWER
Answered 2022-Mar-05 at 14:03Here's one idea to help visualize the difference you are trying to show. Firstly, the country names on the x axis are likely to remain illegible however you try to label them. It might therefore be better to have the rank of the countries on the x axis.
Drawing a polygon around the points might make the point visually, but doesn't make much sense in statistical terms. What might be better here is to plot a regression with a separate line for each group. Since we are dealing with count data, we can use Poisson regression, and since we have a numeric rank on the x axis, it is possible to have lines going across your plot to show the regression.
QUESTION
ANSWER
Answered 2022-Feb-17 at 03:34With the following code snippet, I could able to fetch the SCT list as a string from X509 certificate
QUESTION
I'm primarily using Windows, where I run WSL2. So from a python script running in the subsystem, I would like to screenshot whatever is on windows monitor, as simple as such:
v1
...ANSWER
Answered 2022-Feb-11 at 22:30if you are on a laptop you could hit the windows button and prtsc to take a screenshot and if you are on PC you could use OBS its recording software that can do pretty much anything.
QUESTION
I'm working on a poc to migrate an on-prem SQL Server database to Amazon Aurora for PostgreSQL. Amazon's Schema Conversion Tool struggled to translate the SQL Server code for the creation of a table on this column:
...ANSWER
Answered 2022-Feb-10 at 16:59to_char()
is is not marked as immutable even though in your case it would be. But there are format masks that are not immutable if e.g. time zones or different locales are involved.
If you really want to (or are forced to) convert day,month, year in a formatted string (rather than a proper date
which would be the correct thing to do), then you can only achieve this with a custom function:
QUESTION
I am working on a project that calls an API (using C# ASP.NET), and the API returns an XML document. I know how to deserialize an response in JSON, but am running into issues with deserializing an XML response. Currently I am getting the below error when attempting to deserialize the XML:
InvalidOperationException: response xmlns="" was not expected.
The error code displayed just the empty quotes in the error message. I have the code samples below, and I would greatly appreciate any constructive feedback or advice on making this better, and any advice on where I went wrong on attempting to deserialize this!
Here is the XML response from the API call (This API only returns either CML or a .csv):
...ANSWER
Answered 2022-Jan-11 at 04:00try this, it was tested in Visual Studio
QUESTION
I want to access a PC/SC Reader (Reiner SCT) on macOS Monterey (12.0.1) using Java 8/11. (javax.smartcardio
already works in Java 11). With both Java Version,
ANSWER
Answered 2022-Jan-02 at 08:54The option with System.setProperty
works for me.
The only problem in my case was, that there was a typo in the property name. The correct property name is sun.security.smartcardio.library
QUESTION
This is my first real question on Stackoverflow. I'm currently trying to implement an existing websocket server into my UWP (C# or C++) app. The server is running from my laptop and is receiving screenshot data. I want to send this screenshot data to my UWP app, and then display it there. I also would want audio. Kind of like a remote desktop situation. Is this possible, and if so can someone explain how this would work?
Here is my python code for the current screenshot sending method. It is by no means perfect and is very slow.
...ANSWER
Answered 2021-Dec-30 at 00:24Deciding to transfer stuff over the internet is a big step. This involves port forwarding, a good client/server setup and the actual code. Some examples from microsoft got me started to set up a TCP connection.
If your goal is to simply transfer your own data, TCP might work. Perhaps other protocols are better suited for you, if you need livestreams or just audio and video.
In general, this is too much to explain in a single answer, so I suggest you research on the following key things which will guide you towards a solid connection:
- If you want this to work remotely, from another network to your home network, you will need to port-forward. Here is some guide for it by a fantastic guy. This will allow your packages to go through your router without being blocked. And please, when something does not seem to work, try your firewall and/or try to demilitarize your server/PC.
- Think of how you want your computers to communicate theoretically. This is dependent on your computer science knowledge, but in general it works best to give both devices a specific role: one acts as a client, and the other as a server. To allow networking and stuff (portforwarding) to act as expected, the server should be listening to packets send by the client, to which the server reacts upon. This way, only the server needs to port-forward and the client can contact the server from anywhere. The client sends requests, on which the server responds.
- When you have your plan, work it out! This may seem big, and wowie, but the examples from Microsoft for C# helped me out greatly. You only have to change some IP stuff to make it work in your environment, but the real core works just fine. I doubt however if it is suitable for your scenario, as I do not know if you want to send arbitrary packets or full streams. It seems like the latter, so you might want to check out other code.
As I mentioned earlier, this is quite global, but so is your question. Start from the beginning, ask more precise questions and you will get there. :)
QUESTION
I implemented the function as "select * from stat where id = ?" with Spring Boot; JPA method findAllById(), but it returns all equivalent records. Please show me how I should fix the code.
...ANSWER
Answered 2021-Dec-25 at 02:17If you want to get different values, you need:
- move the attributes "row" and "col" from StatCell to StatId and change the equals and hashcode methods in these entities;
- in the repository use method like this:
List findAllByIdId(Integer id);
I think you get the same values because entity StatId only contains "id". This means that only one row should have a unique value "id". If you have used a constraint key for the table(id, row, col), then you must use all the key attributes in your EmbaddedId.
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