[3dem] Announcing the release of CryoFIT

[Michael Purdy]

Hi, Dieter, I had some trouble too because the installation script is 
specific to installation in the user's home directory, as shown in the 
instructions. Since I was installing elsewhere, I had to modify 
install_cryoFIT.py to specify my install location. The two lines I 
edited are below (N.B. change your_installation_directory). After that 
change the installation succeeded.

home_dir = expanduser("your_installation_directory")

src_dir = home_dir + "/src"

Michael

On 02/13/2018 01:39 AM, Dieter Blaas wrote:
>
> Dear colleagues,
>
>     has anybody already installed and tested CryoFit and could give me 
> a hint as to how to install it? I tried to do so by following the 
> description on the Github site but so far failed. Thanks, Dieter
>
> ------------------------------------------------------------------------
> Dieter Blaas,
> Max F. Perutz Laboratories
> Medical University of Vienna,
> Inst. Med. Biochem., Vienna Biocenter (VBC),
> Dr. Bohr Gasse 9/3,
> A-1030 Vienna, Austria,
> Tel: 0043 1 4277 61630,
> Fax: 0043 1 4277 9616,
> e-mail:dieter.blaas at meduniwien.ac.at
> ------------------------------------------------------------------------
> Am 07.02.2018 um 10:10 schrieb Sanbonmatsu, Karissa Yoshiko:
>>
>> Dear colleagues,
>>
>>
>> We are excited to announce the release of CryoFIT, a program 
>> for fitting atomistic models to cryo-EM maps. The current version 
>> is designed for fitting lower resolution maps but this does not 
>> preclude use with higher resolution maps. The CryoFIT module is built 
>> on Gromacs and accessible through Phenix 
>> (https://www.phenix-online.org/documentation/reference/cryo_fit.html), 
>> currently via GitHub. It supports both the Phenix GUI and the command 
>> line.  CryoFIT is based on the algorithm in Kirmiziatltin, et al., 
>> Methods of Enzymology 2015 
>> (https://doi.org/10.1016/bs.mie.2015.02.011). This is an alpha 
>> version. Please send any feature requests and bug reports to Doo Nam 
>> Kim (doonam at lanl.gov).
>>
>>
>> Happy Modeling!
>>
>>
>> Karissa
>>
>>
>> ***********************************
>>
>> Karissa Y. Sanbonmatsu
>>
>> Principal Investigator
>>
>> Theoretical Biology and Biophysics
>>
>> Theoretical Division
>>
>> Los Alamos National Laboratory
>>
>> http://www.lanl.gov/projects/karissa
>>
>> http://www.t10.lanl.gov/kys <http://www.t6.lanl.gov/kys>
>>
>> ***********************************
>>
>>
>>
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>
>
>
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