It is definitely possible, however, after PDB deposition all the waters will be sorted out into chain S anyways… same with ligands, and sugars.
-- Kelvin Lau https://people.epfl.ch/kelvin.lau Scientist - Protein production and structure core facility – PTPSP Co-President – EPFL Scientific Staff Association – ELSA EPFL SV PTECH PTPSP AI 2146 (Bâtiment AI) Station 19 CH-1015 Lausanne Switzerland Email: [email protected]<mailto:[email protected]> Phone: +41 21 69 30267<tel:+41%2021%2069%C2%A030267> If unreachable: +41 21 69 34494<tel:+41%2021%2069%C2%A030267> On 13.08.2025, 13:21, "CCP4 bulletin board on behalf of Firdous Tarique" <[email protected]<mailto:[email protected]> on behalf of [email protected]<mailto:[email protected]>> wrote: Hello everyone I have a situation where the water molecules in my protein chains are not named correctly. For example I want water molecules in protein Chain A to be named as Chain A but few water molecules are named as chain B. As the water numbers in hundreds it is difficult to do it manually. Is there a way where water molecules near chain A (let's say within 3.5 A) are automatically renamed as chain A ? Any help is appreciated Best Firdous ________________________________ To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 ######################################################################## 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/
