This reminds me of my days as an undergraduate at Leiden University. I did a project with RAG de Graaff, and learnt to solve some small molecule structures. All programs were run on an IBM mainframe that was located in the central computing services. Input was prepared in fixed format. When I had finished my structure, and had to produce an ORTEP plot, I put the '1' that signified the number of copies in the wrong column, and in the morning I found a sizable roll of plotting paper on my desk, and an upset system manager, as I had just blown a month's worth of printing budget!
On Wed, 23 Jan 2019 at 22:01, Diana Tomchick < diana.tomch...@utsouthwestern.edu> wrote: > ORTEP = Oak Ridge Thermal Ellipsoid Program > > Diana > > ************************************************** > Diana R. Tomchick > Professor > Departments of Biophysics and Biochemistry > UT Southwestern Medical Center > 5323 Harry Hines Blvd. > Rm. ND10.214A > Dallas, TX 75390-8816 > diana.tomch...@utsouthwestern.edu > (214) 645-6383 (phone) > (214) 645-6353 (fax) > > On Jan 23, 2019, at 3:50 PM, Keller, Jacob <kell...@janelia.hhmi.org> > wrote: > > What’s the story with the funny name—does it have to do with its being > petro backwards? > > JPK > > +++++++++++++++++++++++++++++++++++++++++++++++++ > Jacob Pearson Keller > Research Scientist / Looger Lab > HHMI Janelia Research Campus > 19700 Helix Dr, Ashburn, VA 20147 > Desk: (571)209-4000 x3159 > Cell: (301)592-7004 > +++++++++++++++++++++++++++++++++++++++++++++++++ > > The content of this email is confidential and intended for the recipient > specified in message only. It is strictly forbidden to share any part of > this message with any third party, without a written consent of the sender. > If you received this message by mistake, please reply to this message and > follow with its deletion, so that we can ensure such a mistake does not > occur in the future. > > *From:* CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> *On Behalf Of *Mooers, > Blaine H.M. (HSC) > *Sent:* Wednesday, January 23, 2019 4:17 PM > *To:* CCP4BB@JISCMAIL.AC.UK > *Subject:* Re: [ccp4bb] visualising anis B factors > > Dear Eleanor, > > Ethan Merritt's rastep program is a sort of color version of ortep. > It gives beautiful figures. > > http://skuld.bmsc.washington.edu/raster3d/html/rastep.html > > > Best regards, > > Blaine > > Blaine Mooers, Ph.D. > Associate Professor > Department of Biochemistry and Molecular Biology > College of Medicine > University of Oklahoma Health Sciences Center > S.L. Young Biomedical Research Center (BRC) Rm. 466 > 975 NE 10th Street, BRC 466 > Oklahoma City, OK 73104-5419 > > ------------------------------ > > *From:* CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Diana > Tomchick [diana.tomch...@utsouthwestern.edu] > *Sent:* Wednesday, January 23, 2019 3:01 PM > *To:* CCP4BB@JISCMAIL.AC.UK > *Subject:* [EXTERNAL] Re: [ccp4bb] visualising anis B factors > Hi Bob, > > You might recognize this manual. > > Diana > > ************************************************** > Diana R. Tomchick > Professor > Departments of Biophysics and Biochemistry > UT Southwestern Medical Center > 5323 Harry Hines Blvd. > Rm. ND10.214A > Dallas, TX 75390-8816 > diana.tomch...@utsouthwestern.edu > (214) 645-6383 (phone) > (214) 645-6353 (fax) > > <image001.jpg> > > On Jan 23, 2019, at 2:07 PM, Sweet, Robert < > 000027e0eb9d20ec-dmarc-requ...@jiscmail.ac.uk> wrote: > > Please remember Carrol Johnson and colleagues. In 1965 from Oak Ridge > National Lab they released a FORTRAN program, ORTEP, that would write > instructions for a CalComp plotter, not only to make a molecular drawing > showing thermal ellipsoids, but also to create them IN STEREO! This program > revolutionized crystallographic publishing, not so much for the ellipsoids, > but for the easy visualization of ones molecules in three dimensions. It > seems so easy now. > > Bob > > ================================================ > Robert M. Sweet E-Dress: sw...@bnl.gov > Deputy Director, LSBR: The Life Science and > Biomedical Technology Research Center at NSLS-II > Photon Sciences and Biology Dept > Brookhaven Nat'l Lab. > Upton, NY 11973 U.S.A. > Phones: 631 344 3401 (Office) > 631 338 7302 (Mobile) > ================================================ > > ------------------------------ > *From:* CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> on behalf of Eleanor > Dodson <0000176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk> > *Sent:* Wednesday, January 23, 2019 1:46:29 PM > *To:* CCP4BB@JISCMAIL.AC.UK > *Subject:* Re: [ccp4bb] visualising anis B factors > > Thank you! I still love the BB > Eleanor > > On Wed, 23 Jan 2019 at 16:24, Christian Roth <christianroth...@gmail.com> > wrote: > > In ccp4mg it is the representation tab --> Thermal ellipsoids > > > > On Wed, Jan 23, 2019 at 4:51 PM Oliviero Carugo < > oliviero.car...@univie.ac.at> wrote: > > You might be interested in Chimera too (--> Tools --> Structure Analysis > --> Thermal ellipsoids) > > > > > On 23.01.2019 16:17, Eleanor Dodson wrote: > > Is there any easy way to do this? > > > > Coot? ccp4mg? > > > > Eleanor Dodson > > > > ------------------------- > > > > To unsubscribe from the CCP4BB list, click the following link: > > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > <https://urldefense.proofpoint.com/v2/url?u=https-3A__www.jiscmail.ac.uk_cgi-2Dbin_webadmin-3FSUBED1-3DCCP4BB-26A-3D1&d=DwMFAg&c=VjzId-SM5S6aVB_cCGQ0d3uo9UfKByQ3sI6Audoy6dY&r=k0gMbcsdOcdbPUNV5tW66KQSZfXL0ewVDPVBp7tqbks&m=qYbNjgMNEXXJnRyAUSsbJdcvilCpxXvVQO6rwls6Bm4&s=dI-dP0Zkve0uiWEn3o04VcZinDN49VqmtKv3vK015zA&e=> > > ######################################################################## > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > <https://urldefense.proofpoint.com/v2/url?u=https-3A__www.jiscmail.ac.uk_cgi-2Dbin_webadmin-3FSUBED1-3DCCP4BB-26A-3D1&d=DwMFAg&c=VjzId-SM5S6aVB_cCGQ0d3uo9UfKByQ3sI6Audoy6dY&r=k0gMbcsdOcdbPUNV5tW66KQSZfXL0ewVDPVBp7tqbks&m=qYbNjgMNEXXJnRyAUSsbJdcvilCpxXvVQO6rwls6Bm4&s=dI-dP0Zkve0uiWEn3o04VcZinDN49VqmtKv3vK015zA&e=> > > > ------------------------------ > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > <https://urldefense.proofpoint.com/v2/url?u=https-3A__www.jiscmail.ac.uk_cgi-2Dbin_webadmin-3FSUBED1-3DCCP4BB-26A-3D1&d=DwMFAg&c=VjzId-SM5S6aVB_cCGQ0d3uo9UfKByQ3sI6Audoy6dY&r=k0gMbcsdOcdbPUNV5tW66KQSZfXL0ewVDPVBp7tqbks&m=qYbNjgMNEXXJnRyAUSsbJdcvilCpxXvVQO6rwls6Bm4&s=dI-dP0Zkve0uiWEn3o04VcZinDN49VqmtKv3vK015zA&e=> > > ------------------------------ > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > <https://urldefense.proofpoint.com/v2/url?u=https-3A__www.jiscmail.ac.uk_cgi-2Dbin_webadmin-3FSUBED1-3DCCP4BB-26A-3D1&d=DwMFAg&c=VjzId-SM5S6aVB_cCGQ0d3uo9UfKByQ3sI6Audoy6dY&r=k0gMbcsdOcdbPUNV5tW66KQSZfXL0ewVDPVBp7tqbks&m=qYbNjgMNEXXJnRyAUSsbJdcvilCpxXvVQO6rwls6Bm4&s=dI-dP0Zkve0uiWEn3o04VcZinDN49VqmtKv3vK015zA&e=> > > > ------------------------------ > > *UT** Southwestern* > > Medical Center > > The future of medicine, today. > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > <https://urldefense.proofpoint.com/v2/url?u=https-3A__www.jiscmail.ac.uk_cgi-2Dbin_webadmin-3FSUBED1-3DCCP4BB-26A-3D1&d=DwMFAg&c=VjzId-SM5S6aVB_cCGQ0d3uo9UfKByQ3sI6Audoy6dY&r=k0gMbcsdOcdbPUNV5tW66KQSZfXL0ewVDPVBp7tqbks&m=qYbNjgMNEXXJnRyAUSsbJdcvilCpxXvVQO6rwls6Bm4&s=dI-dP0Zkve0uiWEn3o04VcZinDN49VqmtKv3vK015zA&e=> > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > -- Dr. Johan P. 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