I'm working in a repurposing work of a disease, for that I need to run molecular docking for all ligands. It is too difficult to separately dock for all ligands and i also need to remove the hydrogen and water molecules in all pdb.
Can anyone provide me python code to run molecular docking and remove the hydrogen and water molecules for multiple ligands plz?
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recently I made a little program that generates a country with a bit of info, like the country name, size and most importantly cities.
It generates a random number of cities and towns and villages based on the country's size, this is all text based so that is why I would give it a nice flare with some graphics.
Now, I have been researching a bit and it seems that my best option would be Perlin noise or some form of noise, so my question is, how would I go about doing this? Where do I start? Are there other ways of accomplishing this?
So, in short, how do I take the randomly generated text cities and towns and villages in my program and randomly generate them on some form of map? I hope this all makes sense. Also, my program is written in python.
There is lots of problem in what you saying. What platform are you using? Arcade? PyGame? etc. I will write the arcade code for you so you can use. To use arcade, type pip install arcade in Windows, or pip3 install arcade on Linux.
Edit:
Please can you post your code so I can implement?
I'm trying to measure the emissions and fuel consumption of all my vehicles in the network. I'm running some simulations with AVs and human driven vehicles (HDVs). I'm running python 3.7.6 and I interface with VISSIM using COM API.
Basically, I create X number of HDVs in a loop using:
for i in range(x):
hdvs.append(Vissim.Net.Vehicles.AddVehicleAtLinkPosition( 100, link, lane, pos, desired_speed, interaction))
Then I control my AVs and in the end try to access the vehicles emissions, fuel consumption and total travel distance:
all_veh_emissions = Vissim.Net.Vehicles.GetMultipleAttributes(('EmissionsCO2', 'EmissionsNOx', 'FuelConsumption', 'DistTravTotal'))
EmissionCO2, EmissionsNOx and FuelConsumption returns None, and DistTravTotal returns the true number in meters. So, why can I not access the emissions and fuel consumption numbers? Have I missed something in VISSIM?
Best regards,
Jacob
To get emissions and fuel consumption of each vehicle, extra add-on module is required.
According to Vissim manual pdf file,
If you have purchased the add-on module API, you can access the Emission Model.dll file for emission calculation via an interface. You must provide the EmissionModel.dll. It is not part of Vissim.
p.s. Mine is Vissim 11.00.
Context : the idea is to apply different loads on a sample/specimen made out of woven materials/fabrics and simulate their behavior computationally.
Execution : There are a number of tasks I am required to do. At this point I am only looking for suggestions since I am a beginner in python(not programming). I want to create a woven pattern used in textile manufacturing (atlas weaving) and this pattern is to be described using lines. Each line is to have material properties based on the material/matrix ratio of the fibres.
Recommendation : What python libraries should I look at to accomplish this?
I am using Python 3.X on macOS Sierra, and want to write a Python programme that should be able to: (1) load a 1 min video (format probably .avi), (2) identify white larvae (I am a biologist working on fly larvae) on a dark-ish background, (3) track the flies over the 1 min, and (4) output a .csv file with x- and y-coordinates for each larvae.
Now, what I am asking is not for anyone to write the code, I want to do that myself; rather, since I am totally new to working with videos, and only have marginal Python experience, it would help me for people to suggest a strategy I could follow to write that programme, such as specific modules that contain functions useful for this task, etc.
I just got enrolled in a program that starts me in researches about new Networks Protocols, and my first assignment is to learn about Discrete-Event Simulation.
It was recommended 2 books:
Simulating Computer Systems: Techniques and Tools by Myron H. MacDougall
Simulation Model Design and Execution: Building Digital Worlds by Paul Fishwick
Both books use tools that I won't be using in particularly but I was told it is a good book to learn the basics of simulation of discrete-events.
But, as it happens, the MacDougall's book isn't really available in any other store except amazon dot com, and would take 2 months to deliver it to my address. And the Fishwick's book would cost a fortune that i'm not willing to spend right now.
Now, I come here to ask which books are used today to learn discrete-event simulation that are similar to those?
P.S.: I will be using the SimPy simulation tool based on Python.
There are many excellent resources for learning about discrete-event simulation. Probably the top selling book of the last 35 years has been "Simulation Modeling and Analysis" by Law. Other fine choices include "Discrete-Event System Simulation" by Banks, Carson, & Nelson, "Principles of Discrete-Event Simulation" by Fishman, "Discrete-Event Simulation: A First Course" by Leemis & Park, or "Graphical Simulation Modeling and Analysis Using SIGMA for Windows" by Schruben, to name a few.
Another alternative would be to go to the Winter Simulation Conference Archive, pick any year, and check out the articles in either the introductory or advanced tutorials. I'd particularly recommend Schriber's Inside Discrete-Event Simulation Software: How It Works and Why It Matters series, and Fundamentals of Simulation Modeling by Sanchez.
For those of you who still stumble upon this question while looking for resources, apart from all the books mentioned in pjs's answer (out of which I found "Discrete-Event System Simulation" by Banks, Carson, Nelson & Nicol and "Simulation Modeling and Analysis" by Law & Kelton to be most helpful) 'Simulation' by Ross is another very useful resource.
I'd like to recommend my own book, which is focussed on designing and implementing simulation models, unlike most classical "Discrete-Event System Simulation" textbooks, which are focussed on statistics and operations research.
Discrete Event Simulation Engineering - How to design discrete event simulations with DPMN and implement them with OESjs, Simio and AnyLogic
It's still a draft version, the HTML version is Open Access (free).