Many years ago I wrote something to do this (sadly I never published anything and can't find the old code).
I'm not saying it's not possible to produce useful structures this way, but in my hands the results were not good. I did a little investigation and it appeared that backbone bond length variations had more of an effect than I would have imagined. As the chain got longer, the cumulative effect of having ideal bond lengths produced some very bad structures. My approach was very crude; perhaps relaxing to avoiding clashes as the chain grows or predicting backbone bond lengths given phi/psi angles would produce more sensible looking results. Good luck! Chris -- Chris Richardson | Scientific Computing - Division of Structural Biology The Institute of Cancer Research | 237 Fulham Road, London SW3 6JB T +442071535445 | E chris.richard...@icr.ac.uk<mailto:chris.richard...@icr.ac.uk> | W www.icr.ac.uk<http://www.icr.ac.uk/> | Twitter @ICR_London<https://twitter.com/ICR_London> Facebook www.facebook.com/theinstituteofcancerresearch<http://www.facebook.com/theinstituteofcancerresearch> Making the discoveries that defeat cancer [ICR Logo]<http://www.icr.ac.uk/> ________________________________ From: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> on behalf of Carter, Charlie <0001086f1a20d42f-dmarc-requ...@jiscmail.ac.uk> Sent: 04 April 2025 11:27 To: CCP4BB@JISCMAIL.AC.UK <CCP4BB@JISCMAIL.AC.UK> Subject: [ccp4bb] Assembling a structure given phi, psi angles CAUTION: This email originated from outside of the ICR. Do not click links or open attachments unless you recognize the sender's email address and know the content is safe. Does anyone know if there is a program that will take a sequence file associated with phi and psi angles and produce a 3D coordinate set in pdb format? I know this can be done in the sense that Byron Rubin’s bender did the same thing in analog fashion. Many thanks Charlie Carter ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://eur01.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwww.jiscmail.ac.uk%2Fcgi-bin%2FWA-JISC.exe%3FSUBED1%3DCCP4BB%26A%3D1&data=05%7C02%7CChris.Richardson%40ICR.AC.UK%7C0402033a5b2e465d2b2d08dd7363614b%7C6138f7b9eeea47f7a06bb90a692f238e%7C0%7C0%7C638793592917454538%7CUnknown%7CTWFpbGZsb3d8eyJFbXB0eU1hcGkiOnRydWUsIlYiOiIwLjAuMDAwMCIsIlAiOiJXaW4zMiIsIkFOIjoiTWFpbCIsIldUIjoyfQ%3D%3D%7C0%7C%7C%7C&sdata=CjoaBNDxSUDOLXKHIEN9cP2tcMrDmt5UrBfHDNQG8i8%3D&reserved=0<https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1> This message was issued to members of https://eur01.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww.jiscmail.ac.uk%2FCCP4BB&data=05%7C02%7CChris.Richardson%40ICR.AC.UK%7C0402033a5b2e465d2b2d08dd7363614b%7C6138f7b9eeea47f7a06bb90a692f238e%7C0%7C0%7C638793592917484696%7CUnknown%7CTWFpbGZsb3d8eyJFbXB0eU1hcGkiOnRydWUsIlYiOiIwLjAuMDAwMCIsIlAiOiJXaW4zMiIsIkFOIjoiTWFpbCIsIldUIjoyfQ%3D%3D%7C0%7C%7C%7C&sdata=KpPmiq4DA3FE7cTt8UUS1E6d%2BHrA4HvPCtWw04t2Fyw%3D&reserved=0<http://www.jiscmail.ac.uk/CCP4BB>, a mailing list hosted by https://eur01.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww.jiscmail.ac.uk%2F&data=05%7C02%7CChris.Richardson%40ICR.AC.UK%7C0402033a5b2e465d2b2d08dd7363614b%7C6138f7b9eeea47f7a06bb90a692f238e%7C0%7C0%7C638793592917504876%7CUnknown%7CTWFpbGZsb3d8eyJFbXB0eU1hcGkiOnRydWUsIlYiOiIwLjAuMDAwMCIsIlAiOiJXaW4zMiIsIkFOIjoiTWFpbCIsIldUIjoyfQ%3D%3D%7C0%7C%7C%7C&sdata=qKw5RNz%2FqW83d13AiyDFSA%2Fa33JLgAsUIDmpcMVpVio%3D&reserved=0<http://www.jiscmail.ac.uk/>, terms & conditions are available at https://eur01.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwww.jiscmail.ac.uk%2Fpolicyandsecurity%2F&data=05%7C02%7CChris.Richardson%40ICR.AC.UK%7C0402033a5b2e465d2b2d08dd7363614b%7C6138f7b9eeea47f7a06bb90a692f238e%7C0%7C0%7C638793592917524655%7CUnknown%7CTWFpbGZsb3d8eyJFbXB0eU1hcGkiOnRydWUsIlYiOiIwLjAuMDAwMCIsIlAiOiJXaW4zMiIsIkFOIjoiTWFpbCIsIldUIjoyfQ%3D%3D%7C0%7C%7C%7C&sdata=IY2pNwRE2TEoZjhONUXTAwQRamq2gdWfzauYZdIrNkg%3D&reserved=0<https://www.jiscmail.ac.uk/policyandsecurity/> The Institute of Cancer Research: Royal Cancer Hospital, a charitable Company Limited by Guarantee, Registered in England under Company No. 534147 with its Registered Office at 123 Old Brompton Road, London SW7 3RP. This e-mail message is confidential and for use by the addressee only. If the message is received by anyone other than the addressee, please return the message to the sender by replying to it and then delete the message from your computer and network. ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
