Legacy, FORTRAN or C, open source code - conversion of asymmetric unit to unit cell?

21 February 2020 0 7K Report

I'm looking for some legacy, FORTRAN or C, open source code for the conversion of the crystallographic asymmetric to the entire unit cell and hence the entire crystal, by applying the space group symmetry operations.

Can someone point me in the right direction?

Badges
Science topic

More Vernon G.S. Box's questions See All

Is there any research in the caribean about the legal framework for artificial intelligence for the protecction of fundamental rights?

I am making a research on artificial intelligence and fundamental rights. I would like to have some information about the topic in countries in the caribbean. Please, let me know if you have some...

17 January 2024 1,345 0 View

Lycopene crystal structure?

Hi Has the crystal structure of all trans lycopene ever been determined? If yes, the could you please point me to the diffraction data (CIF). Thanks

26 September 2023 4,832 1 View

I would appreciate any details or published documents about this project?

Light trap designs

06 November 2017 9,201 1 View

Who suspects 2nd-order Galactic magnetocaloric harmonic signatures in NGRIP O16:O18?

NGRIP Holocene temperatures seem to present (a) ordered spiking, (b) Fibonacci retracement, with (c) intermediate millennial harmonic channel ascensions (d) spanning 4700 year cycles. This...

18 March 2016 1,340 0 View

Is anyone aware of Suicide Safety Plans that have Evidence Based Support?

I am training on safety plan development on a inpatient acute care psychiatric unit and wat to find the latest info on safety plan development.

04 October 2015 1,643 4 View

Can anyone provide the reference, or better yet, a CIF for a tetraphenylammonium salt?

Thanks in advance for your replies.

03 January 2015 7,182 2 View

Is there an alternative to the use of doxycycline to induce TRIPZ ShRNA in 4T1?

Hi all, I generated regulatable knockdown 4T1 mouse cell lines with TRIPZ doxyclycline-inducible shRNA vectors (scrambled sequence and targeted one). Unfortunalety, doxycyline (doxy) leads to...

13 July 2014 6,410 3 View

Is there an alternative to the use of doxycycline to induce TRIPZ ShRNA in 4T1?

Hi all, I generated regulatable knockdown 4T1 mouse cell lines with TRIPZ doxyclycline-inducible shRNA vectors (scrambled sequence and targeted one). Unfortunalety, doxycyline (doxy) leads to...

06 July 2014 6,164 3 View

Is there a need to consider analyst/designers/programmers/developers' ways of conceiving the dev life cycle as part of their approach to what they do?

Life cycles are usually an expression of how to manage a project—where to put resources and what to do with them. However, if we were more aware of how the...

29 January 2014 6,330 1 View

Does anyone have any links to, or evidence of, de Bono's Six Thinking Hats technique benefiting either problem finding or problem solving?

Any assistance is appreciated.

27 January 2014 1,991 10 View

How to define an anisotropic material with asymmetric elastic compliance/stiffness matrix in ANSYS APDL?

I need to model an anisotropic material in which the Poisson's ratio ν_12 ≠ ν_21 and so on. Therefore, the elastic compliance matrix wouldn't be a symmetric one. In ANSYS APDL, for TB,ANEL...

09 August 2024 5,048 2 View

Request Python code?

Request Python code from this article : Gender equity of authorship in pulmonary medicine over the past decade. THANKS!

08 August 2024 6,242 2 View

Why does everyone use vs code?

Visual Studio Code (VS Code) has become a popular choice among developers for several reasons: 1. **Free and Open Source**: VS Code is free to use and open source, making it accessible to...

07 August 2024 7,013 4 View

How can i do multivariate Time Series forecast using MLP, ANFIS and LSTM?

I need the python code to forecast what crop production will be in the next decade considering climate and crop production variables as seen in the attached.csv file.

05 August 2024 2,977 3 View

Why is nonpoint source pollution potentially more harmful and difference between point and nonpoint sources of water pollution?

01 August 2024 1,180 2 View

How do living organisms play a role in the water cycle and why is nonpoint source pollution potentially more harmful than point source pollution?

01 August 2024 7,061 2 View

How does nonpoint source pollution affect ocean environment & why point source pollution is often easier to manage than nonpoint source pollution?

How does nonpoint source pollution affect the ocean environment and why point source pollution is often easier to manage than nonpoint source pollution?

01 August 2024 8,014 2 View

How Can I Apply Hashin Damage Properties to Solid Elements in Abaqus Without Using VUMAT?

Sure, here is the translation: I have a 3D orthogonal woven composite structure where warp, weft, and binder yarns are oriented in three directions. After modeling these yarns and the matrix in...

28 July 2024 8,169 0 View

All math can be explained by iterator of code?

all math can be traversed by code? all math can be translate to code?

26 July 2024 9,530 0 View

How can i solve the code problem in Sentaurus TCAD?

Currently, I have created a gate-all-around process using sentaurus tcad and I am trying to measure the noise using the cmos noise code. However, an error occurred during the simulation. The error...

24 July 2024 6,352 0 View