Re: [cctbxbb] scipy module

This works! Thanks, Magnus

On 06 Nov 2017, at 21:39, Billy Poon wrote:

Also, if you already have cctbx installed, you can install scipy into that version of python by,

cctbx.python -m pip install scipy

That command places scipy in the same location as the other cctbx dependencies.

-- Billy K. Poon Research Scientist, Molecular Biophysics and Integrated Bioimaging Lawrence Berkeley National Laboratory 1 Cyclotron Road, M/S 33R0345 Berkeley, CA 94720 Tel: (510) 486-5709 Fax: (510) 486-5909 Web: https://phenix-online.org https://phenix-online.org/ On Mon, Nov 6, 2017 at 12:32 PM, Peter Zwart mailto:[email protected]> wrote: I find the easiest way to do this is to install scipy with pip, and use the python associated with that install to be used as the python to compile the cctbx under.

P

On 6 November 2017 at 12:18, Magnus Andersson mailto:[email protected]> wrote: Hello,

I am not normally using cctbx but I’m trying to run a script that imports modules as follows:

import sys,io,os import subprocess import numpy import pickle import math import pylab #import pymol import time import scipy import iotbx.pdb import cctbx import mmtbx.model from scipy.optimize import fmin, fmin_cg, leastsq from scipy.interpolate import interp1d import datetime from numpy.random import random_sample from cctbx.array_family import flex from scitbx.math import superpose

I have installed cctbx and run with cctbx.python.

How can I import scipy into the cctbx python?

Cheers,

Magnus

#### Magnus Andersson, Docent, Ph.D.

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Mailing address: Science For Life Laboratory Alpha 6 Box 1031 171 21 Solna

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#### Magnus Andersson, Docent, Ph.D. Email: [email protected] Phone: 0769469872 Mailing address: Science For Life Laboratory Alpha 6 Box 1031 171 21 Solna Visiting address: Tomtebodavägen 23A 171 65 Solna